CID 6956225

3-(1h-1,2,3-benzotriazol-1-yl)-n'-(1-(4-meo-ph)ethylidene)propanohydrazide

Structural Information

Molecular Formula
C18H19N5O2
SMILES
C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H19N5O2/c1-13(14-7-9-15(25-2)10-8-14)19-21-18(24)11-12-23-17-6-4-3-5-16(17)20-22-23/h3-10H,11-12H2,1-2H3,(H,21,24)/b19-13+
InChIKey
OKKPLZXLABKPEQ-CPNJWEJPSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 178.7
[M+Na]+ 360.14309 186.1
[M-H]- 336.14659 184.1
[M+NH4]+ 355.18769 190.8
[M+K]+ 376.11703 181.8
[M+H-H2O]+ 320.15113 167.8
[M+HCOO]- 382.15207 202.1
[M+CH3COO]- 396.16772 216.9
[M+Na-2H]- 358.12854 184.1
[M]+ 337.15332 182.9
[M]- 337.15442 182.9
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

No patent data available for this compound.