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]+ 286.121996 164.3
[M+Na]+ 308.103938 171.3
[M-H]- 284.107444 167.6
[M+NH4]+ 303.148543 177.3
[M+K]+ 324.077878 167.5
[M+H-H2O]+ 268.111980 156.2
[M+HCOO]- 330.112921 177.0
[M+CH3COO]- 344.128571 199.1
[M+Na-2H]- 306.089386 165.9
[M]+ 285.11417142 163.4
[M]- 285.11526858 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