CID 45054373

4-chloro-3-[(dipropylamino)sulfonyl]-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C21H27ClN2O3S
SMILES
CCCN(CCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC(C)C2=CC=CC=C2)Cl
InChI
InChI=1S/C21H27ClN2O3S/c1-4-13-24(14-5-2)28(26,27)20-15-18(11-12-19(20)22)21(25)23-16(3)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKey
VVKIIULKTMCUSB-UHFFFAOYSA-N
Compound name
4-chloro-3-(dipropylsulfamoyl)-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1431 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15038 199.6
[M+Na]+ 445.13232 204.2
[M-H]- 421.13582 207.0
[M+NH4]+ 440.17692 210.9
[M+K]+ 461.10626 199.1
[M+H-H2O]+ 405.14036 191.7
[M+HCOO]- 467.14130 212.0
[M+CH3COO]- 481.15695 230.8
[M+Na-2H]- 443.11777 199.0
[M]+ 422.14255 206.6
[M]- 422.14365 206.6
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.