CID 7064018

2-methoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]aniline

Structural Information

Molecular Formula
C12H19N3O3S
SMILES
CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)N
InChI
InChI=1S/C12H19N3O3S/c1-14-5-7-15(8-6-14)19(16,17)10-3-4-12(18-2)11(13)9-10/h3-4,9H,5-8,13H2,1-2H3
InChIKey
CAUYGLGWHNNDAD-UHFFFAOYSA-N
Compound name
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

285.11472 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12200 163.5
[M+Na]+ 308.10394 173.8
[M+NH4]+ 303.14854 169.7
[M+K]+ 324.07788 167.5
[M-H]- 284.10744 165.1
[M+Na-2H]- 306.08939 168.4
[M]+ 285.11417 165.6
[M]- 285.11527 165.6
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