CID 3024748

Crl 41245

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C(=O)C1=CC=C(C=C1)NC(=O)C)NC2CC2
InChI
InChI=1S/C14H18N2O2/c1-9(15-12-7-8-12)14(18)11-3-5-13(6-4-11)16-10(2)17/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)
InChIKey
MWZODRIBIAPRPV-UHFFFAOYSA-N
Compound name
N-[4-[2-(cyclopropylamino)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 152.6
[M+Na]+ 269.12605 158.8
[M-H]- 245.12955 159.9
[M+NH4]+ 264.17065 164.4
[M+K]+ 285.09999 155.6
[M+H-H2O]+ 229.13409 145.5
[M+HCOO]- 291.13503 176.1
[M+CH3COO]- 305.15068 202.7
[M+Na-2H]- 267.11150 155.4
[M]+ 246.13628 154.1
[M]- 246.13738 154.1
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.