CID 3078818

Benzamide, 5-(aminosulfonyl)-n-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-methoxy-

Structural Information

Molecular Formula
C19H25N3O5S
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C19H25N3O5S/c1-22(2)10-11-27-15-6-4-14(5-7-15)13-21-19(23)17-12-16(28(20,24)25)8-9-18(17)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H2,20,24,25)
InChIKey
LHUCRZKSSIXTFB-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

407.1515 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15878 194.8
[M+Na]+ 430.14072 199.1
[M-H]- 406.14422 201.8
[M+NH4]+ 425.18532 204.9
[M+K]+ 446.11466 196.6
[M+H-H2O]+ 390.14876 185.2
[M+HCOO]- 452.14970 213.7
[M+CH3COO]- 466.16535 231.0
[M+Na-2H]- 428.12617 196.0
[M]+ 407.15095 200.5
[M]- 407.15205 200.5
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

patents stripe