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]+ 193.13355 143.6
[M+Na]+ 215.11549 148.5
[M-H]- 191.11899 146.8
[M+NH4]+ 210.16009 162.4
[M+K]+ 231.08943 146.4
[M+H-H2O]+ 175.12353 136.7
[M+HCOO]- 237.12447 169.0
[M+CH3COO]- 251.14012 188.5
[M+Na-2H]- 213.10094 150.1
[M]+ 192.12572 142.7
[M]- 192.12682 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