CID 459880

Chembl358381

Structural Information

Molecular Formula
C18H22N6O
SMILES
CCC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)C)OC)N)N
InChI
InChI=1S/C18H22N6O/c1-4-12-11(8-21-13-7-10(2)5-6-14(13)25-3)9-22-17-15(12)16(19)23-18(20)24-17/h5-7,9,21H,4,8H2,1-3H3,(H4,19,20,22,23,24)
InChIKey
GOKMORWKJBBAEE-UHFFFAOYSA-N
Compound name
5-ethyl-6-[(2-methoxy-5-methylanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.18552 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19280 185.2
[M+Na]+ 361.17474 194.4
[M-H]- 337.17824 188.9
[M+NH4]+ 356.21934 195.1
[M+K]+ 377.14868 188.1
[M+H-H2O]+ 321.18278 174.5
[M+HCOO]- 383.18372 205.8
[M+CH3COO]- 397.19937 223.3
[M+Na-2H]- 359.16019 189.6
[M]+ 338.18497 185.8
[M]- 338.18607 185.8
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.