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]+ 355.18770 187.6
[M+Na]+ 377.16964 196.5
[M-H]- 353.17314 191.3
[M+NH4]+ 372.21424 196.7
[M+K]+ 393.14358 190.9
[M+H-H2O]+ 337.17768 176.6
[M+HCOO]- 399.17862 208.3
[M+CH3COO]- 413.19427 225.5
[M+Na-2H]- 375.15509 192.2
[M]+ 354.17987 189.5
[M]- 354.18097 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.