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 164.3
[M+Na]+ 308.10394 171.3
[M-H]- 284.10744 167.6
[M+NH4]+ 303.14854 177.3
[M+K]+ 324.07788 167.5
[M+H-H2O]+ 268.11198 156.2
[M+HCOO]- 330.11292 177.0
[M+CH3COO]- 344.12857 199.1
[M+Na-2H]- 306.08939 165.9
[M]+ 285.11417 163.4
[M]- 285.11527 163.4
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