CID 3764107

327080-05-7

Structural Information

Molecular Formula
C14H23N3O3S
SMILES
CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C14H23N3O3S/c1-3-16(4-2)14-6-5-12(11-13(14)15)21(18,19)17-7-9-20-10-8-17/h5-6,11H,3-4,7-10,15H2,1-2H3
InChIKey
DPFROBVHIHKJSB-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-morpholin-4-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14603 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15331 172.0
[M+Na]+ 336.13525 176.6
[M-H]- 312.13875 178.1
[M+NH4]+ 331.17985 184.0
[M+K]+ 352.10919 174.9
[M+H-H2O]+ 296.14329 163.5
[M+HCOO]- 358.14423 186.1
[M+CH3COO]- 372.15988 209.7
[M+Na-2H]- 334.12070 174.2
[M]+ 313.14548 172.0
[M]- 313.14658 172.0
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.