CID 135564533

Chlorodenafil

Structural Information

Molecular Formula
C19H21ClN4O3
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CCl)OCC)C
InChI
InChI=1S/C19H21ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9H,4-6,10H2,1-3H3,(H,21,22,26)
InChIKey
UOJGGFDIPKRVTP-UHFFFAOYSA-N
Compound name
5-[5-(2-chloroacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.13022 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13750 191.5
[M+Na]+ 411.11944 203.5
[M-H]- 387.12294 193.8
[M+NH4]+ 406.16404 201.3
[M+K]+ 427.09338 195.9
[M+H-H2O]+ 371.12748 181.8
[M+HCOO]- 433.12842 204.3
[M+CH3COO]- 447.14407 218.9
[M+Na-2H]- 409.10489 191.6
[M]+ 388.12967 199.9
[M]- 388.13077 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe