CID 55304

Suricainide maleate

Structural Information

Molecular Formula
C18H31N3O3S
SMILES
CCN(CC)CCNC(=O)N(CCS(=O)(=O)C1=CC=CC=C1)C(C)C
InChI
InChI=1S/C18H31N3O3S/c1-5-20(6-2)13-12-19-18(22)21(16(3)4)14-15-25(23,24)17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,22)
InChIKey
OSTGVQSWUXGHKL-UHFFFAOYSA-N
Compound name
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

253
Patents

369.20862 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21590 191.1
[M+Na]+ 392.19784 192.5
[M-H]- 368.20134 195.8
[M+NH4]+ 387.24244 203.6
[M+K]+ 408.17178 191.3
[M+H-H2O]+ 352.20588 182.1
[M+HCOO]- 414.20682 208.6
[M+CH3COO]- 428.22247 228.0
[M+Na-2H]- 390.18329 190.5
[M]+ 369.20807 196.6
[M]- 369.20917 196.6
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