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 171.9
[M+Na]+ 336.13525 176.0
[M-H]- 312.13875 176.5
[M+NH4]+ 331.17985 183.1
[M+K]+ 352.10919 173.5
[M+H-H2O]+ 296.14329 163.6
[M+HCOO]- 358.14423 184.5
[M+CH3COO]- 372.15988 207.4
[M+Na-2H]- 334.12070 173.7
[M]+ 313.14548 170.1
[M]- 313.14658 170.1
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.