CID 464032

5-chloro-1-[2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]indoline

Structural Information

Molecular Formula
C17H17ClN6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN3CCC4=C3C=CC(=C4)Cl)N)N
InChI
InChI=1S/C17H17ClN6/c1-9-11(7-21-16-14(9)15(19)22-17(20)23-16)8-24-5-4-10-6-12(18)2-3-13(10)24/h2-3,6-7H,4-5,8H2,1H3,(H4,19,20,21,22,23)
InChIKey
CWVQQOSSFUUOTC-UHFFFAOYSA-N
Compound name
6-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.12033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12761 182.6
[M+Na]+ 363.10955 194.1
[M-H]- 339.11305 185.7
[M+NH4]+ 358.15415 194.9
[M+K]+ 379.08349 185.5
[M+H-H2O]+ 323.11759 172.4
[M+HCOO]- 385.11853 195.4
[M+CH3COO]- 399.13418 192.2
[M+Na-2H]- 361.09500 185.2
[M]+ 340.11978 183.0
[M]- 340.12088 183.0
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.