CID 6482214

Dtxsid10872255

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]+ 298.093456 162.6
[M+Na]+ 320.075398 170.9
[M-H]- 296.078904 167.7
[M+NH4]+ 315.120003 175.1
[M+K]+ 336.049338 162.6
[M+H-H2O]+ 280.083440 157.3
[M+HCOO]- 342.084381 186.2
[M+CH3COO]- 356.100031 198.5
[M+Na-2H]- 318.060846 171.7
[M]+ 297.08563142 162.9
[M]- 297.08672858 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.