CID 6957058

478653-67-7

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)CCN2C3=CC=CC=C3N=N2)/C
InChI
InChI=1S/C18H19N5O/c1-13-7-9-15(10-8-13)14(2)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)/b19-14+
InChIKey
YNNIQCHYGBQPAC-XMHGGMMESA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15897 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 175.3
[M+Na]+ 344.14819 188.2
[M+NH4]+ 339.19279 181.7
[M+K]+ 360.12213 182.9
[M-H]- 320.15169 178.9
[M+Na-2H]- 342.13364 183.2
[M]+ 321.15842 177.9
[M]- 321.15952 177.9
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.