CID 165900781

2639442-87-6

Structural Information

Molecular Formula
C19H22N6O2
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NN(C=C3)C)C4CCCC4)C(=O)C
InChI
InChI=1S/C19H22N6O2/c1-11-14-10-20-19(21-15-8-9-24(3)23-15)22-17(14)25(13-6-4-5-7-13)18(27)16(11)12(2)26/h8-10,13H,4-7H2,1-3H3,(H,20,21,22,23)
InChIKey
FDGMFOHPQQFUNT-UHFFFAOYSA-N
Compound name
6-acetyl-8-cyclopentyl-5-methyl-2-[(1-methylpyrazol-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.18042 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18770 188.2
[M+Na]+ 389.16964 198.2
[M-H]- 365.17314 194.3
[M+NH4]+ 384.21424 198.3
[M+K]+ 405.14358 192.1
[M+H-H2O]+ 349.17768 177.4
[M+HCOO]- 411.17862 206.0
[M+CH3COO]- 425.19427 198.0
[M+Na-2H]- 387.15509 187.0
[M]+ 366.17987 190.5
[M]- 366.18097 190.5
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

No patent data available for this compound.