CID 205308

17752-60-2

Structural Information

Molecular Formula
C15H15N5O
SMILES
COC1=CC=C(C=C1)CC2=CC3=C(N=C(N=C3N=C2)N)N
InChI
InChI=1S/C15H15N5O/c1-21-11-4-2-9(3-5-11)6-10-7-12-13(16)19-15(17)20-14(12)18-8-10/h2-5,7-8H,6H2,1H3,(H4,16,17,18,19,20)
InChIKey
IREOUVDHASCDFW-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 166.5
[M+Na]+ 304.11688 176.1
[M-H]- 280.12038 169.9
[M+NH4]+ 299.16148 178.5
[M+K]+ 320.09082 170.2
[M+H-H2O]+ 264.12492 156.3
[M+HCOO]- 326.12586 187.2
[M+CH3COO]- 340.14151 177.2
[M+Na-2H]- 302.10233 173.5
[M]+ 281.12711 165.9
[M]- 281.12821 165.9
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

patents stripe