CID 3709815

561002-07-1

Structural Information

Molecular Formula
C14H23N3O3S
SMILES
CC(C)CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C14H23N3O3S/c1-11(2)10-16-14-4-3-12(9-13(14)15)21(18,19)17-5-7-20-8-6-17/h3-4,9,11,16H,5-8,10,15H2,1-2H3
InChIKey
PKINEYBHSHYABH-UHFFFAOYSA-N
Compound name
1-N-(2-methylpropyl)-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15331 171.3
[M+Na]+ 336.13525 179.6
[M+NH4]+ 331.17985 177.1
[M+K]+ 352.10919 174.1
[M-H]- 312.13875 174.8
[M+Na-2H]- 334.12070 175.3
[M]+ 313.14548 173.6
[M]- 313.14658 173.6
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.