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]+ 322.166246 176.2
[M+Na]+ 344.148188 183.8
[M-H]- 320.151694 181.6
[M+NH4]+ 339.192793 189.1
[M+K]+ 360.122128 178.8
[M+H-H2O]+ 304.156230 165.4
[M+HCOO]- 366.157171 199.4
[M+CH3COO]- 380.172821 214.7
[M+Na-2H]- 342.133636 181.5
[M]+ 321.15842142 179.0
[M]- 321.15951858 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.