CID 3071456

N-(3-(4-methylpiperazino)propyl)-1-methyl-4-imidazolesulfonamide fumarate

Structural Information

Molecular Formula
C12H23N5O2S
SMILES
CN1CCN(CC1)CCCNS(=O)(=O)C2=CN(C=N2)C
InChI
InChI=1S/C12H23N5O2S/c1-15-6-8-17(9-7-15)5-3-4-14-20(18,19)12-10-16(2)11-13-12/h10-11,14H,3-9H2,1-2H3
InChIKey
RQJDYUMQDZMXGI-UHFFFAOYSA-N
Compound name
1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

301.15726 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16454 169.8
[M+Na]+ 324.14648 178.0
[M+NH4]+ 319.19108 174.7
[M+K]+ 340.12042 173.6
[M-H]- 300.14998 169.4
[M+Na-2H]- 322.13193 172.9
[M]+ 301.15671 170.8
[M]- 301.15781 170.8
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