CID 3071453

1h-imidazole-4-sulfonamide, 1-methyl-n-((4-(4-morpholinylmethyl)phenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H22N4O3S
SMILES
CN1C=C(N=C1)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCOCC3
InChI
InChI=1S/C16H22N4O3S/c1-19-12-16(17-13-19)24(21,22)18-10-14-2-4-15(5-3-14)11-20-6-8-23-9-7-20/h2-5,12-13,18H,6-11H2,1H3
InChIKey
GNMDWHHRMAOIQE-UHFFFAOYSA-N
Compound name
1-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.14127 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14855 180.8
[M+Na]+ 373.13049 186.9
[M-H]- 349.13399 186.9
[M+NH4]+ 368.17509 190.0
[M+K]+ 389.10443 183.3
[M+H-H2O]+ 333.13853 171.4
[M+HCOO]- 395.13947 193.3
[M+CH3COO]- 409.15512 209.1
[M+Na-2H]- 371.11594 182.5
[M]+ 350.14072 181.2
[M]- 350.14182 181.2
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