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 176.2
[M+Na]+ 344.14819 183.8
[M-H]- 320.15169 181.6
[M+NH4]+ 339.19279 189.1
[M+K]+ 360.12213 178.8
[M+H-H2O]+ 304.15623 165.4
[M+HCOO]- 366.15717 199.4
[M+CH3COO]- 380.17282 214.7
[M+Na-2H]- 342.13364 181.5
[M]+ 321.15842 179.0
[M]- 321.15952 179.0
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.