CID 3867121

1-n-ethyl-4-(morpholine-4-sulfonyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C12H19N3O3S
SMILES
CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C12H19N3O3S/c1-2-14-12-4-3-10(9-11(12)13)19(16,17)15-5-7-18-8-6-15/h3-4,9,14H,2,5-8,13H2,1H3
InChIKey
DGQWBLSNJWYMSD-UHFFFAOYSA-N
Compound name
1-N-ethyl-4-morpholin-4-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11472 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12200 163.0
[M+Na]+ 308.10394 172.2
[M+NH4]+ 303.14854 169.4
[M+K]+ 324.07788 166.2
[M-H]- 284.10744 166.9
[M+Na-2H]- 306.08939 167.8
[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

No patent data available for this compound.