CID 3071464

1h-imidazole-4-sulfonamide, 5-chloro-1-methyl-n-(5-(4-morpholinyl)pentyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H23ClN4O3S
SMILES
CN1C=NC(=C1Cl)S(=O)(=O)NCCCCCN2CCOCC2
InChI
InChI=1S/C13H23ClN4O3S/c1-17-11-15-13(12(17)14)22(19,20)16-5-3-2-4-6-18-7-9-21-10-8-18/h11,16H,2-10H2,1H3
InChIKey
JTEWWWJBNXMBIF-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

350.11795 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12523 180.5
[M+Na]+ 373.10717 186.9
[M-H]- 349.11067 183.3
[M+NH4]+ 368.15177 191.1
[M+K]+ 389.08111 183.1
[M+H-H2O]+ 333.11521 172.3
[M+HCOO]- 395.11615 187.7
[M+CH3COO]- 409.13180 207.8
[M+Na-2H]- 371.09262 180.8
[M]+ 350.11740 184.1
[M]- 350.11850 184.1
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