CID 6482209

Dtxsid201030363

Structural Information

Molecular Formula
C19H19N5O3
SMILES
C1CCC(CC1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H19N5O3/c25-19(13-6-9-16(10-7-13)24(26)27)20-14-8-11-17-18(12-14)22-23(21-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,25)
InChIKey
AJVADFMBEQUEGP-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylbenzotriazol-5-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1488 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 181.0
[M+Na]+ 388.13802 184.9
[M-H]- 364.14152 187.5
[M+NH4]+ 383.18262 189.7
[M+K]+ 404.11196 175.6
[M+H-H2O]+ 348.14606 173.9
[M+HCOO]- 410.14700 199.8
[M+CH3COO]- 424.16265 210.7
[M+Na-2H]- 386.12347 187.0
[M]+ 365.14825 176.2
[M]- 365.14935 176.2
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.