CID 16771675

4-amino-2-chloro-n-(2-methylbutan-2-yl)benzamide hydrochloride

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
CCC(C)(C)NC(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C12H17ClN2O/c1-4-12(2,3)15-11(16)9-6-5-8(14)7-10(9)13/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKey
OKZWALVNLSMRLX-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 155.6
[M+Na]+ 263.09216 163.2
[M-H]- 239.09566 159.0
[M+NH4]+ 258.13676 173.8
[M+K]+ 279.06610 158.9
[M+H-H2O]+ 223.10020 150.6
[M+HCOO]- 285.10114 173.9
[M+CH3COO]- 299.11679 197.3
[M+Na-2H]- 261.07761 159.1
[M]+ 240.10239 156.4
[M]- 240.10349 156.4
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.