CID 6482214

142312-67-2

Structural Information

Molecular Formula
C14H11N5O3
SMILES
CN1N=C2C=CC(=CC2=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11N5O3/c1-18-16-12-7-4-10(8-13(12)17-18)15-14(20)9-2-5-11(6-3-9)19(21)22/h2-8H,1H3,(H,15,20)
InChIKey
ILTQZGHBFODXAE-UHFFFAOYSA-N
Compound name
N-(2-methylbenzotriazol-5-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09346 162.6
[M+Na]+ 320.07540 170.9
[M-H]- 296.07890 167.7
[M+NH4]+ 315.12000 175.1
[M+K]+ 336.04934 162.6
[M+H-H2O]+ 280.08344 157.3
[M+HCOO]- 342.08438 186.2
[M+CH3COO]- 356.10003 198.5
[M+Na-2H]- 318.06085 171.7
[M]+ 297.08563 162.9
[M]- 297.08673 162.9
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.