CID 3671622

2-(4-methylpiperazin-1-yl)-5-(morpholine-4-sulfonyl)aniline dihydrochloride

Structural Information

Molecular Formula
C15H24N4O3S
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N
InChI
InChI=1S/C15H24N4O3S/c1-17-4-6-18(7-5-17)15-3-2-13(12-14(15)16)23(20,21)19-8-10-22-11-9-19/h2-3,12H,4-11,16H2,1H3
InChIKey
XNGVDJKFWJAKKD-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15692 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16420 180.0
[M+Na]+ 363.14614 184.3
[M-H]- 339.14964 184.5
[M+NH4]+ 358.19074 187.4
[M+K]+ 379.12008 180.7
[M+H-H2O]+ 323.15418 170.0
[M+HCOO]- 385.15512 186.9
[M+CH3COO]- 399.17077 208.5
[M+Na-2H]- 361.13159 180.6
[M]+ 340.15637 174.5
[M]- 340.15747 174.5
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

No patent data available for this compound.