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

39
Patents

206.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.4
[M+Na]+ 229.13112 154.3
[M-H]- 205.13462 151.6
[M+NH4]+ 224.17572 166.8
[M+K]+ 245.10506 152.1
[M+H-H2O]+ 189.13916 142.4
[M+HCOO]- 251.14010 171.3
[M+CH3COO]- 265.15575 192.4
[M+Na-2H]- 227.11657 153.3
[M]+ 206.14135 146.8
[M]- 206.14245 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