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

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 171.1
[M+Na]+ 324.14648 177.6
[M-H]- 300.14998 172.2
[M+NH4]+ 319.19108 182.9
[M+K]+ 340.12042 173.9
[M+H-H2O]+ 284.15452 162.2
[M+HCOO]- 346.15546 182.6
[M+CH3COO]- 360.17111 201.9
[M+Na-2H]- 322.13193 171.5
[M]+ 301.15671 171.3
[M]- 301.15781 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