CID 9571459

Nsc666400

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/CCCOC2
InChI
InChI=1S/C12H16N2O3S/c1-10-4-6-12(7-5-10)18(15,16)14-13-11-3-2-8-17-9-11/h4-7,14H,2-3,8-9H2,1H3/b13-11-
InChIKey
MXIWQUZCROYPLE-QBFSEMIESA-N
Compound name
4-methyl-N-[(Z)-oxan-3-ylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 157.6
[M+Na]+ 291.07739 163.0
[M-H]- 267.08089 165.7
[M+NH4]+ 286.12199 172.9
[M+K]+ 307.05133 161.1
[M+H-H2O]+ 251.08543 150.1
[M+HCOO]- 313.08637 175.6
[M+CH3COO]- 327.10202 198.0
[M+Na-2H]- 289.06284 163.4
[M]+ 268.08762 156.9
[M]- 268.08872 156.9
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.