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 163.2
[M+Na]+ 308.10394 168.6
[M-H]- 284.10744 168.1
[M+NH4]+ 303.14854 175.6
[M+K]+ 324.07788 165.8
[M+H-H2O]+ 268.11198 155.2
[M+HCOO]- 330.11292 177.5
[M+CH3COO]- 344.12857 200.5
[M+Na-2H]- 306.08939 166.9
[M]+ 285.11417 161.2
[M]- 285.11527 161.2
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.