CID 3024740

Crl 41232

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N(C)C
InChI
InChI=1S/C13H18N2O2/c1-9(15(3)4)13(17)11-5-7-12(8-6-11)14-10(2)16/h5-9H,1-4H3,(H,14,16)
InChIKey
DTXWMICFAARKCY-UHFFFAOYSA-N
Compound name
N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

234.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.1
[M+Na]+ 257.126048 160.0
[M-H]- 233.129554 160.0
[M+NH4]+ 252.170653 172.8
[M+K]+ 273.099988 159.8
[M+H-H2O]+ 217.134090 148.1
[M+HCOO]- 279.135031 178.7
[M+CH3COO]- 293.150681 202.2
[M+Na-2H]- 255.111496 156.6
[M]+ 234.13628142 156.1
[M]- 234.13737858 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe