CID 3054995

71896-47-4

Structural Information

Molecular Formula
C17H28N4O5S
SMILES
CCCCNC(=NCC(OC)OC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C17H28N4O5S/c1-5-6-11-18-17(19-12-16(25-3)26-4)21-27(23,24)15-9-7-14(8-10-15)20-13(2)22/h7-10,16H,5-6,11-12H2,1-4H3,(H,20,22)(H2,18,19,21)
InChIKey
BUSJFHUQUHNCQU-UHFFFAOYSA-N
Compound name
N-[4-[[N-butyl-N'-(2,2-dimethoxyethyl)carbamimidoyl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17804 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18532 193.5
[M+Na]+ 423.16726 194.9
[M-H]- 399.17076 196.9
[M+NH4]+ 418.21186 203.7
[M+K]+ 439.14120 193.4
[M+H-H2O]+ 383.17530 184.1
[M+HCOO]- 445.17624 212.4
[M+CH3COO]- 459.19189 230.6
[M+Na-2H]- 421.15271 194.7
[M]+ 400.17749 198.7
[M]- 400.17859 198.7
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.