CID 3063053

99700-10-4

Structural Information

Molecular Formula
C19H27N5O2S
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=NC)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H27N5O2S/c1-4-24-13-22-17-11-15(7-10-18(17)24)12-21-19(20-3)23-27(25,26)16-8-5-14(2)6-9-16/h5-6,8-9,13,15H,4,7,10-12H2,1-3H3,(H2,20,21,23)
InChIKey
SMCHKCZZPIHKRB-UHFFFAOYSA-N
Compound name
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-2-methyl-3-(4-methylphenyl)sulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18854 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19582 192.2
[M+Na]+ 412.17776 197.4
[M-H]- 388.18126 197.9
[M+NH4]+ 407.22236 204.2
[M+K]+ 428.15170 192.6
[M+H-H2O]+ 372.18580 183.3
[M+HCOO]- 434.18674 207.8
[M+CH3COO]- 448.20239 226.3
[M+Na-2H]- 410.16321 194.5
[M]+ 389.18799 193.5
[M]- 389.18909 193.5
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

No patent data available for this compound.