CID 6482207

3,4-dichloro-n-(2-cyclohexylbenzotriazol-5-yl)benzamide

Structural Information

Molecular Formula
C19H18Cl2N4O
SMILES
C1CCC(CC1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H18Cl2N4O/c20-15-8-6-12(10-16(15)21)19(26)22-13-7-9-17-18(11-13)24-25(23-17)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,22,26)
InChIKey
SGXQWZUTUMMDGL-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.08575 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09303 189.1
[M+Na]+ 411.07497 197.7
[M-H]- 387.07847 194.6
[M+NH4]+ 406.11957 199.9
[M+K]+ 427.04891 189.5
[M+H-H2O]+ 371.08301 178.2
[M+HCOO]- 433.08395 197.1
[M+CH3COO]- 447.09960 197.7
[M+Na-2H]- 409.06042 190.0
[M]+ 388.08520 189.9
[M]- 388.08630 189.9
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.