CID 137086767

Dtxsid80756417

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=CC=CC=C1NC(=O)/C(=C(/C)\O)/N=NC2=CC=CC=C2C
InChI
InChI=1S/C18H19N3O2/c1-12-8-4-6-10-15(12)19-18(23)17(14(3)22)21-20-16-11-7-5-9-13(16)2/h4-11,22H,1-3H3,(H,19,23)/b17-14+,21-20?
InChIKey
DKYCLMWNQSOQQF-BWDPSHBISA-N
Compound name
(E)-3-hydroxy-N-(2-methylphenyl)-2-[(2-methylphenyl)diazenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 174.4
[M+Na]+ 332.136958 178.9
[M-H]- 308.140464 182.3
[M+NH4]+ 327.181563 188.5
[M+K]+ 348.110898 176.1
[M+H-H2O]+ 292.145000 165.4
[M+HCOO]- 354.145941 199.9
[M+CH3COO]- 368.161591 216.3
[M+Na-2H]- 330.122406 176.8
[M]+ 309.14719142 174.0
[M]- 309.14828858 174.0
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.