PubChemLite - Noracetildenafil (C24H32N6O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H32N6O3/c1-5-7-18-21-22(29(4)27-18)24(32)26-23(25-21)17-14-16(8-9-20(17)33-6-2)19(31)15-30-12-10-28(3)11-13-30/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,25,26,32)

InChIKey

BEAXWKCHSPVXQB-UHFFFAOYSA-N

Compound name

5-[2-ethoxy-5-[2-(4-methylpiperazin-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]+	453.26088	216.5
[M+Na]+	475.24282	224.4
[M-H]-	451.24632	218.4
[M+NH4]+	470.28742	219.2
[M+K]+	491.21676	216.3
[M+H-H2O]+	435.25086	203.6
[M+HCOO]-	497.25180	226.1
[M+CH3COO]-	511.26745	222.1
[M+Na-2H]-	473.22827	212.6
[M]+	452.25305	218.8
[M]-	452.25415	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.26088

216.5

[M+Na]+

475.24282

224.4

[M-H]-

451.24632

218.4

[M+NH4]+

470.28742

219.2

[M+K]+

491.21676

216.3

[M+H-H2O]+

435.25086

203.6

[M+HCOO]-

497.25180

226.1

[M+CH3COO]-

511.26745

222.1

[M+Na-2H]-

473.22827

212.6

[M]+

452.25305

218.8

[M]-

452.25415

218.8

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

Noracetildenafil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe