CID 446752

Sri-9439

Structural Information

Molecular Formula
C18H17N7
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=CC4=C3C=CC=N4)N)N
InChI
InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
InChIKey
KMSATRJZEXNGDP-UHFFFAOYSA-N
Compound name
5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

331.15454 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16182 179.8
[M+Na]+ 354.14376 190.7
[M-H]- 330.14726 183.3
[M+NH4]+ 349.18836 189.3
[M+K]+ 370.11770 182.3
[M+H-H2O]+ 314.15180 168.5
[M+HCOO]- 376.15274 199.9
[M+CH3COO]- 390.16839 189.4
[M+Na-2H]- 352.12921 189.7
[M]+ 331.15399 179.5
[M]- 331.15509 179.5
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.