CID 6482205

2,2-dichloro-n-(2-cyclohexylbenzotriazol-5-yl)acetamide

Structural Information

Molecular Formula
C14H16Cl2N4O
SMILES
C1CCC(CC1)N2N=C3C=CC(=CC3=N2)NC(=O)C(Cl)Cl
InChI
InChI=1S/C14H16Cl2N4O/c15-13(16)14(21)17-9-6-7-11-12(8-9)19-20(18-11)10-4-2-1-3-5-10/h6-8,10,13H,1-5H2,(H,17,21)
InChIKey
KHPMMZDEXZTNAO-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(2-cyclohexylbenzotriazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.07013 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07741 171.1
[M+Na]+ 349.05935 178.5
[M-H]- 325.06285 173.3
[M+NH4]+ 344.10395 184.4
[M+K]+ 365.03329 172.3
[M+H-H2O]+ 309.06739 161.8
[M+HCOO]- 371.06833 178.7
[M+CH3COO]- 385.08398 180.3
[M+Na-2H]- 347.04480 172.9
[M]+ 326.06958 171.1
[M]- 326.07068 171.1
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.