CID 457349

Chembl279679

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CCOC1=CC(=C(C=C1)OCC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
InChIKey
KKMWDWUZXFYKLD-UHFFFAOYSA-N
Compound name
6-[(2,5-diethoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

368.19608 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 191.8
[M+Na]+ 391.18530 200.2
[M-H]- 367.18880 195.3
[M+NH4]+ 386.22990 200.4
[M+K]+ 407.15924 194.5
[M+H-H2O]+ 351.19334 180.7
[M+HCOO]- 413.19428 212.2
[M+CH3COO]- 427.20993 228.5
[M+Na-2H]- 389.17075 195.9
[M]+ 368.19553 194.1
[M]- 368.19663 194.1
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

patents stripe