PubChemLite - Hydroxyacetildenafil (C25H34N6O4)

Structural Information

Molecular Formula

SMILES

CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CCO)OCC)C

InChI

InChI=1S/C25H34N6O4/c1-4-6-19-22-23(29(3)28-19)25(34)27-24(26-22)18-15-17(7-8-21(18)35-5-2)20(33)16-31-11-9-30(10-12-31)13-14-32/h7-8,15,32H,4-6,9-14,16H2,1-3H3,(H,26,27,34)

InChIKey

RZVZQPAGIOECPK-UHFFFAOYSA-N

Compound name

5-[2-ethoxy-5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.27144	222.3
[M+Na]+	505.25338	229.0
[M-H]-	481.25688	222.8
[M+NH4]+	500.29798	223.0
[M+K]+	521.22732	220.9
[M+H-H2O]+	465.26142	209.6
[M+HCOO]-	527.26236	230.3
[M+CH3COO]-	541.27801	237.0
[M+Na-2H]-	503.23883	218.0
[M]+	482.26361	224.6
[M]-	482.26471	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.27144

222.3

[M+Na]+

505.25338

229.0

[M-H]-

481.25688

222.8

[M+NH4]+

500.29798

223.0

[M+K]+

521.22732

220.9

[M+H-H2O]+

465.26142

209.6

[M+HCOO]-

527.26236

230.3

[M+CH3COO]-

541.27801

237.0

[M+Na-2H]-

503.23883

218.0

[M]+

482.26361

224.6

[M]-

482.26471

224.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hydroxyacetildenafil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe