CID 3024738

Crl 41224

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCNC(C)C(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C13H18N2O2/c1-4-14-9(2)13(17)11-5-7-12(8-6-11)15-10(3)16/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKey
VHAAIKXIRRLVAP-UHFFFAOYSA-N
Compound name
N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.5
[M+Na]+ 257.12605 160.2
[M-H]- 233.12955 158.8
[M+NH4]+ 252.17065 172.5
[M+K]+ 273.09999 158.6
[M+H-H2O]+ 217.13409 148.5
[M+HCOO]- 279.13503 178.6
[M+CH3COO]- 293.15068 198.7
[M+Na-2H]- 255.11150 157.6
[M]+ 234.13628 155.2
[M]- 234.13738 155.2
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