CID 5337715

Stk395323

Structural Information

Molecular Formula
C17H15N5O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H15N5O/c23-17(13-22-16-11-5-4-10-15(16)19-21-22)20-18-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,23)/b9-6+,18-12+
InChIKey
BHWQEGFXPFAJBZ-PXYULHTISA-N
Compound name
2-(benzotriazol-1-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12766 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.134936 169.7
[M+Na]+ 328.116878 177.6
[M-H]- 304.120384 174.8
[M+NH4]+ 323.161483 183.0
[M+K]+ 344.090818 171.7
[M+H-H2O]+ 288.124920 158.8
[M+HCOO]- 350.125861 194.5
[M+CH3COO]- 364.141511 180.7
[M+Na-2H]- 326.102326 177.5
[M]+ 305.12711142 171.6
[M]- 305.12820858 171.6
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.