CID 3012229

2-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methylamino]terephthalaldehyde

Structural Information

Molecular Formula
C17H16N6O2
SMILES
CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C=CC(=C3)C=O)C=O)N)N
InChI
InChI=1S/C17H16N6O2/c1-9-12(6-21-16-14(9)15(18)22-17(19)23-16)5-20-13-4-10(7-24)2-3-11(13)8-25/h2-4,6-8,20H,5H2,1H3,(H4,18,19,21,22,23)
InChIKey
ZQLZKTUREBXZFA-UHFFFAOYSA-N
Compound name
2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methylamino]terephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13348 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.140756 181.7
[M+Na]+ 359.122698 191.7
[M-H]- 335.126204 185.7
[M+NH4]+ 354.167303 191.4
[M+K]+ 375.096638 185.1
[M+H-H2O]+ 319.130740 171.1
[M+HCOO]- 381.131681 203.2
[M+CH3COO]- 395.147331 221.3
[M+Na-2H]- 357.108146 186.8
[M]+ 336.13293142 182.0
[M]- 336.13402858 182.0
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.