CID 135489048

305353-36-0

Structural Information

Molecular Formula
C15H12BrN5O2
SMILES
C1=CC=C2C(=C1)N=NN2CC(=O)N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H12BrN5O2/c16-11-5-6-14(22)10(7-11)8-17-19-15(23)9-21-13-4-2-1-3-12(13)18-20-21/h1-8,22H,9H2,(H,19,23)/b17-8+
InChIKey
HZMQBZHCRALDPZ-CAOOACKPSA-N
Compound name
2-(benzotriazol-1-yl)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.01743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.02471 172.3
[M+Na]+ 396.00665 184.0
[M-H]- 372.01015 179.4
[M+NH4]+ 391.05125 186.5
[M+K]+ 411.98059 171.2
[M+H-H2O]+ 356.01469 168.7
[M+HCOO]- 418.01563 193.6
[M+CH3COO]- 432.03128 184.9
[M+Na-2H]- 393.99210 180.1
[M]+ 373.01688 193.0
[M]- 373.01798 193.0
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.