CID 162345129

Ns00133374

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC(C)N/C=C/C1=CC=C(C=C1)NS(=O)(=O)C
InChI
InChI=1S/C12H18N2O2S/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16/h4-10,13-14H,1-3H3/b9-8+
InChIKey
FNYJGUSIZBJFKE-CMDGGOBGSA-N
Compound name
N-[4-[(E)-2-(propan-2-ylamino)ethenyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 157.1
[M+Na]+ 277.098118 163.2
[M-H]- 253.101624 160.5
[M+NH4]+ 272.142723 174.0
[M+K]+ 293.072058 159.3
[M+H-H2O]+ 237.106160 150.4
[M+HCOO]- 299.107101 175.5
[M+CH3COO]- 313.122751 197.2
[M+Na-2H]- 275.083566 160.2
[M]+ 254.10835142 158.4
[M]- 254.10944858 158.4
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.