CID 469432

Chembl435479

Structural Information

Molecular Formula
C21H23N7O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=C(C=C3OC)N4C=CC=C4)OC)N)N
InChI
InChI=1S/C21H23N7O2/c1-12-13(11-25-20-18(12)19(22)26-21(23)27-20)10-24-14-8-17(30-3)15(9-16(14)29-2)28-6-4-5-7-28/h4-9,11,24H,10H2,1-3H3,(H4,22,23,25,26,27)
InChIKey
MEMOEPDTNVWCFC-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxy-4-pyrrol-1-ylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.1913 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19858 198.8
[M+Na]+ 428.18052 209.1
[M-H]- 404.18402 205.6
[M+NH4]+ 423.22512 206.2
[M+K]+ 444.15446 202.1
[M+H-H2O]+ 388.18856 187.1
[M+HCOO]- 450.18950 220.6
[M+CH3COO]- 464.20515 208.0
[M+Na-2H]- 426.16597 202.1
[M]+ 405.19075 202.4
[M]- 405.19185 202.4
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.