CID 60843617

4-(methylamino)-n-phenylbutanamide hydrochloride

Structural Information

Molecular Formula
C11H16N2O
SMILES
CNCCCC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O/c1-12-9-5-8-11(14)13-10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3,(H,13,14)
InChIKey
XTGBHRSKLWFVIH-UHFFFAOYSA-N
Compound name
4-(methylamino)-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 143.6
[M+Na]+ 215.115488 148.5
[M-H]- 191.118994 146.8
[M+NH4]+ 210.160093 162.4
[M+K]+ 231.089428 146.4
[M+H-H2O]+ 175.123530 136.7
[M+HCOO]- 237.124471 169.0
[M+CH3COO]- 251.140121 188.5
[M+Na-2H]- 213.100936 150.1
[M]+ 192.12572142 142.7
[M]- 192.12681858 142.7
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

patents stripe