CID 3962307

401629-24-1

Structural Information

Molecular Formula
C15H17N2O5P
SMILES
CC1=CC=CC=C1N=CC2=C(C(=NC=C2COP(=O)(O)O)C)O
InChI
InChI=1S/C15H17N2O5P/c1-10-5-3-4-6-14(10)17-8-13-12(9-22-23(19,20)21)7-16-11(2)15(13)18/h3-8,18H,9H2,1-2H3,(H2,19,20,21)
InChIKey
YGXRGSRQYFPNAJ-UHFFFAOYSA-N
Compound name
[5-hydroxy-6-methyl-4-[(2-methylphenyl)iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0875 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09478 177.3
[M+Na]+ 359.07672 184.7
[M-H]- 335.08022 179.6
[M+NH4]+ 354.12132 188.6
[M+K]+ 375.05066 181.5
[M+H-H2O]+ 319.08476 166.8
[M+HCOO]- 381.08570 202.6
[M+CH3COO]- 395.10135 208.5
[M+Na-2H]- 357.06217 178.8
[M]+ 336.08695 180.3
[M]- 336.08805 180.3
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

No patent data available for this compound.