CID 446753

Sri-9662

Structural Information

Molecular Formula
C18H19N5O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1/C=C\C3=C(C=CC(=C3)OC)OC)N)N
InChI
InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-
InChIKey
WNDJHUNKXPAREB-PLNGDYQASA-N
Compound name
6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.15387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 184.7
[M+Na]+ 360.14309 194.9
[M-H]- 336.14659 188.4
[M+NH4]+ 355.18769 194.9
[M+K]+ 376.11703 188.5
[M+H-H2O]+ 320.15113 174.1
[M+HCOO]- 382.15207 204.6
[M+CH3COO]- 396.16772 218.8
[M+Na-2H]- 358.12854 188.4
[M]+ 337.15332 186.5
[M]- 337.15442 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.