CID 9670144

305353-46-2

Structural Information

Molecular Formula
C15H12BrN5O
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CN2C3=CC=CC=C3N=N2)Br
InChI
InChI=1S/C15H12BrN5O/c16-12-6-2-1-5-11(12)9-17-19-15(22)10-21-14-8-4-3-7-13(14)18-20-21/h1-9H,10H2,(H,19,22)/b17-9+
InChIKey
SEWAISBSLLUUBU-RQZCQDPDSA-N
Compound name
2-(benzotriazol-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02252 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.02980 169.4
[M+Na]+ 380.01174 181.0
[M-H]- 356.01524 177.4
[M+NH4]+ 375.05634 184.7
[M+K]+ 395.98568 168.4
[M+H-H2O]+ 340.01978 165.6
[M+HCOO]- 402.02072 192.0
[M+CH3COO]- 416.03637 182.5
[M+Na-2H]- 377.99719 178.2
[M]+ 357.02197 190.2
[M]- 357.02307 190.2
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.