CID 3078819

122892-37-9

Structural Information

Molecular Formula
C18H23N3O4S
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C18H23N3O4S/c1-21(2)11-12-25-16-7-3-14(4-8-16)13-20-18(22)15-5-9-17(10-6-15)26(19,23)24/h3-10H,11-13H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKey
TVGNUJSGSBEZNS-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

377.14093 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14821 187.6
[M+Na]+ 400.13015 191.8
[M-H]- 376.13365 194.5
[M+NH4]+ 395.17475 198.8
[M+K]+ 416.10409 188.7
[M+H-H2O]+ 360.13819 178.3
[M+HCOO]- 422.13913 206.8
[M+CH3COO]- 436.15478 224.5
[M+Na-2H]- 398.11560 189.6
[M]+ 377.14038 191.2
[M]- 377.14148 191.2
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