CID 135484493

345893-91-6

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O
InChI
InChI=1S/C14H15N3O3/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15/h3-7,19-20H,15H2,1-2H3
InChIKey
SGJLINMLDNLWOS-UHFFFAOYSA-N
Compound name
5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

273.11133 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 161.9
[M+Na]+ 296.10055 171.0
[M-H]- 272.10405 166.9
[M+NH4]+ 291.14515 175.8
[M+K]+ 312.07449 167.0
[M+H-H2O]+ 256.10859 153.8
[M+HCOO]- 318.10953 184.8
[M+CH3COO]- 332.12518 202.9
[M+Na-2H]- 294.08600 164.4
[M]+ 273.11078 161.4
[M]- 273.11188 161.4
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

patents stripe