CID 457349

6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.