CID 16770634

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

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCC(C)(C)NC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C12H18N2O/c1-4-12(2,3)14-11(15)9-5-7-10(13)8-6-9/h5-8H,4,13H2,1-3H3,(H,14,15)
InChIKey
OPSBQKCDEPIXJJ-UHFFFAOYSA-N
Compound name
4-amino-N-(2-methylbutan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

206.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 148.4
[M+Na]+ 229.131118 154.3
[M-H]- 205.134624 151.6
[M+NH4]+ 224.175723 166.8
[M+K]+ 245.105058 152.1
[M+H-H2O]+ 189.139160 142.4
[M+HCOO]- 251.140101 171.3
[M+CH3COO]- 265.155751 192.4
[M+Na-2H]- 227.116566 153.3
[M]+ 206.14135142 146.8
[M]- 206.14244858 146.8
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

patents stripe