CID 3071456

1h-imidazole-4-sulfonamide, 1-methyl-n-(3-(4-methyl-1-piperazinyl)propyl)-, (e)-2-butenedioate (1:1)

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

6
Patents

301.15726 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.164536 171.1
[M+Na]+ 324.146478 177.6
[M-H]- 300.149984 172.2
[M+NH4]+ 319.191083 182.9
[M+K]+ 340.120418 173.9
[M+H-H2O]+ 284.154520 162.2
[M+HCOO]- 346.155461 182.6
[M+CH3COO]- 360.171111 201.9
[M+Na-2H]- 322.131926 171.5
[M]+ 301.15671142 171.3
[M]- 301.15780858 171.3
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