CID 11562697

N-benzyl-n-(2-dimethylamino-ethyl)-4-(4-morpholin-4-yl-phenylsulfamoyl)-benzamide

Structural Information

Molecular Formula
C28H34N4O4S
SMILES
CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C28H34N4O4S/c1-30(2)16-17-32(22-23-6-4-3-5-7-23)28(33)24-8-14-27(15-9-24)37(34,35)29-25-10-12-26(13-11-25)31-18-20-36-21-19-31/h3-15,29H,16-22H2,1-2H3
InChIKey
UJNFOILBYOXXAJ-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-(dimethylamino)ethyl]-4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.2301 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.23738 223.7
[M+Na]+ 545.21932 223.4
[M-H]- 521.22282 235.7
[M+NH4]+ 540.26392 225.8
[M+K]+ 561.19326 221.1
[M+H-H2O]+ 505.22736 211.0
[M+HCOO]- 567.22830 237.1
[M+CH3COO]- 581.24395 253.4
[M+Na-2H]- 543.20477 225.4
[M]+ 522.22955 224.5
[M]- 522.23065 224.5
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.