CID 3054814

71795-29-4

Structural Information

Molecular Formula
C17H29N5O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=NCC(OC)OC)NCCN(C)C
InChI
InChI=1S/C17H29N5O5S/c1-13(23)20-14-6-8-15(9-7-14)28(24,25)21-17(18-10-11-22(2)3)19-12-16(26-4)27-5/h6-9,16H,10-12H2,1-5H3,(H,20,23)(H2,18,19,21)
InChIKey
KVDKGHOWHHZNKG-UHFFFAOYSA-N
Compound name
N-[4-[[N'-(2,2-dimethoxyethyl)-N-[2-(dimethylamino)ethyl]carbamimidoyl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.18893 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19621 196.8
[M+Na]+ 438.17815 197.4
[M-H]- 414.18165 201.6
[M+NH4]+ 433.22275 206.6
[M+K]+ 454.15209 197.6
[M+H-H2O]+ 398.18619 186.8
[M+HCOO]- 460.18713 217.0
[M+CH3COO]- 474.20278 239.0
[M+Na-2H]- 436.16360 198.1
[M]+ 415.18838 202.4
[M]- 415.18948 202.4
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.