CID 16770705

4-amino-n-isobutyl-3-methylbenzamide

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1=C(C=CC(=C1)C(=O)NCC(C)C)N
InChI
InChI=1S/C12H18N2O/c1-8(2)7-14-12(15)10-4-5-11(13)9(3)6-10/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKey
IZPMKWBCJMILPC-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 149.1
[M+Na]+ 229.13112 155.2
[M-H]- 205.13462 152.4
[M+NH4]+ 224.17572 167.6
[M+K]+ 245.10506 153.1
[M+H-H2O]+ 189.13916 142.7
[M+HCOO]- 251.14010 172.5
[M+CH3COO]- 265.15575 194.1
[M+Na-2H]- 227.11657 151.2
[M]+ 206.14135 147.7
[M]- 206.14245 147.7
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.