CID 472908

Chembl79347

Structural Information

Molecular Formula
C16H17BrN6
SMILES
CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC=C(C=C3)Br)N)N
InChI
InChI=1S/C16H17BrN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
InChIKey
NBUVTFAJUBVQKG-UHFFFAOYSA-N
Compound name
6-[(4-bromo-N-methylanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.06982 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07710 178.4
[M+Na]+ 395.05904 189.6
[M-H]- 371.06254 185.4
[M+NH4]+ 390.10364 191.1
[M+K]+ 411.03298 176.2
[M+H-H2O]+ 355.06708 173.7
[M+HCOO]- 417.06802 197.4
[M+CH3COO]- 431.08367 190.0
[M+Na-2H]- 393.04449 184.7
[M]+ 372.06927 196.0
[M]- 372.07037 196.0
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.