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

9
Patents

362.17764 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18492 184.9
[M+Na]+ 385.16686 190.0
[M-H]- 361.17036 191.6
[M+NH4]+ 380.21146 196.3
[M+K]+ 401.14080 184.6
[M+H-H2O]+ 345.17490 175.7
[M+HCOO]- 407.17584 199.5
[M+CH3COO]- 421.19149 216.3
[M+Na-2H]- 383.15231 185.6
[M]+ 362.17709 183.5
[M]- 362.17819 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