CID 137521289

2290608-04-5

Structural Information

Molecular Formula
C18H26N4O2S
SMILES
CCN1C=C(N=C1)C2=C(C=CC(=C2)S(=O)(=O)NC)NC3CCCCC3
InChI
InChI=1S/C18H26N4O2S/c1-3-22-12-18(20-13-22)16-11-15(25(23,24)19-2)9-10-17(16)21-14-7-5-4-6-8-14/h9-14,19,21H,3-8H2,1-2H3
InChIKey
LUABWOLWTNXPQZ-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.17764 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.184916 184.9
[M+Na]+ 385.166858 190.0
[M-H]- 361.170364 191.6
[M+NH4]+ 380.211463 196.3
[M+K]+ 401.140798 184.6
[M+H-H2O]+ 345.174900 175.7
[M+HCOO]- 407.175841 199.5
[M+CH3COO]- 421.191491 216.3
[M+Na-2H]- 383.152306 185.6
[M]+ 362.17709142 183.5
[M]- 362.17818858 183.5
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

patents stripe