CID 15954331

Sri-20864

Structural Information

Molecular Formula
C18H22N6O2
SMILES
CCOC1=CC(=C(C=C1)OC)NCC2=CN=C3C(=C2C)C(=NC(=N3)N)N
InChI
InChI=1S/C18H22N6O2/c1-4-26-12-5-6-14(25-3)13(7-12)21-8-11-9-22-17-15(10(11)2)16(19)23-18(20)24-17/h5-7,9,21H,4,8H2,1-3H3,(H4,19,20,22,23,24)
InChIKey
CRZVJULBIPRHRY-UHFFFAOYSA-N
Compound name
6-[(5-ethoxy-2-methoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.18042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.187696 187.6
[M+Na]+ 377.169638 196.5
[M-H]- 353.173144 191.3
[M+NH4]+ 372.214243 196.7
[M+K]+ 393.143578 190.9
[M+H-H2O]+ 337.177680 176.6
[M+HCOO]- 399.178621 208.3
[M+CH3COO]- 413.194271 225.5
[M+Na-2H]- 375.155086 192.2
[M]+ 354.17987142 189.5
[M]- 354.18096858 189.5
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.