CID 456894

Chembl116614

Structural Information

Molecular Formula
C16H14Cl2N6O
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C=O)C3=CC(=C(C=C3)Cl)Cl)N)N
InChI
InChI=1S/C16H14Cl2N6O/c1-8-9(5-21-15-13(8)14(19)22-16(20)23-15)6-24(7-25)10-2-3-11(17)12(18)4-10/h2-5,7H,6H2,1H3,(H4,19,20,21,22,23)
InChIKey
SNJHJFBATIFPBS-UHFFFAOYSA-N
Compound name
N-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-N-(3,4-dichlorophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.0606 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.06788 187.0
[M+Na]+ 399.04982 198.2
[M-H]- 375.05332 191.1
[M+NH4]+ 394.09442 197.2
[M+K]+ 415.02376 191.0
[M+H-H2O]+ 359.05786 177.5
[M+HCOO]- 421.05880 199.2
[M+CH3COO]- 435.07445 196.6
[M+Na-2H]- 397.03527 190.4
[M]+ 376.06005 190.9
[M]- 376.06115 190.9
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.