CID 6603710

Dtxsid801017391

Structural Information

Molecular Formula
C18H23N3O2S
SMILES
CCS(=O)(=O)NC1=CC=CC(=C1)C(=C2CCCCC2)C3=CN=CN3
InChI
InChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20)
InChIKey
MTZVJHSZYMWIAG-UHFFFAOYSA-N
Compound name
N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

2
Patents

345.1511 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15838 181.2
[M+Na]+ 368.14032 185.2
[M-H]- 344.14382 186.1
[M+NH4]+ 363.18492 192.3
[M+K]+ 384.11426 179.0
[M+H-H2O]+ 328.14836 172.6
[M+HCOO]- 390.14930 192.7
[M+CH3COO]- 404.16495 205.8
[M+Na-2H]- 366.12577 180.9
[M]+ 345.15055 176.6
[M]- 345.15165 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe