CID 54390

79565-68-7

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CN(C)CCNC(=O)CCN(C1=CC(=CC=C1)Cl)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H24ClN3O2/c1-23(2)14-12-22-19(25)11-13-24(18-10-6-9-17(21)15-18)20(26)16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKey
QVYLIHWTTFAQFX-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 191.9
[M+Na]+ 396.14492 195.2
[M-H]- 372.14842 200.1
[M+NH4]+ 391.18952 204.6
[M+K]+ 412.11886 191.9
[M+H-H2O]+ 356.15296 182.8
[M+HCOO]- 418.15390 212.6
[M+CH3COO]- 432.16955 229.1
[M+Na-2H]- 394.13037 192.7
[M]+ 373.15515 196.3
[M]- 373.15625 196.3
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.