CID 3071454

N-(4-(4-hydroxyphenyl)piperazino)-1-methyl-4-imidazolesulfonamide

Structural Information

Molecular Formula
C14H18N4O3S
SMILES
CN1C=C(N=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)O
InChI
InChI=1S/C14H18N4O3S/c1-16-10-14(15-11-16)22(20,21)18-8-6-17(7-9-18)12-2-4-13(19)5-3-12/h2-5,10-11,19H,6-9H2,1H3
InChIKey
ILHDHRDACKXOSG-UHFFFAOYSA-N
Compound name
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

322.10995 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11723 172.6
[M+Na]+ 345.09917 184.1
[M+NH4]+ 340.14377 178.1
[M+K]+ 361.07311 179.5
[M-H]- 321.10267 174.0
[M+Na-2H]- 343.08462 178.5
[M]+ 322.10940 174.9
[M]- 322.11050 174.9
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