CID 1830221

326002-09-9

Structural Information

Molecular Formula
C18H17N5O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C18H17N5O/c24-18(21-19-13-6-9-15-7-2-1-3-8-15)12-14-23-17-11-5-4-10-16(17)20-22-23/h1-11,13H,12,14H2,(H,21,24)/b9-6+,19-13+
InChIKey
SKIUKAARLLGZPZ-MHTHSFAKSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 174.2
[M+Na]+ 342.13252 181.5
[M-H]- 318.13602 179.0
[M+NH4]+ 337.17712 186.8
[M+K]+ 358.10646 175.4
[M+H-H2O]+ 302.14056 163.0
[M+HCOO]- 364.14150 198.5
[M+CH3COO]- 378.15715 184.6
[M+Na-2H]- 340.11797 181.3
[M]+ 319.14275 176.3
[M]- 319.14385 176.3
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.