CID 3009201

2-(dimethylsulfamoylamino)phenoxathiine

Structural Information

Molecular Formula
C14H14N2O3S2
SMILES
CN(C)S(=O)(=O)NC1=CC2=C(C=C1)OC3=CC=CC=C3S2
InChI
InChI=1S/C14H14N2O3S2/c1-16(2)21(17,18)15-10-7-8-12-14(9-10)20-13-6-4-3-5-11(13)19-12/h3-9,15H,1-2H3
InChIKey
CPSJLBCQLSHGAG-UHFFFAOYSA-N
Compound name
2-(dimethylsulfamoylamino)phenoxathiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05188 165.1
[M+Na]+ 345.03382 172.8
[M-H]- 321.03732 171.5
[M+NH4]+ 340.07842 180.6
[M+K]+ 361.00776 169.8
[M+H-H2O]+ 305.04186 158.6
[M+HCOO]- 367.04280 176.7
[M+CH3COO]- 381.05845 210.7
[M+Na-2H]- 343.01927 173.8
[M]+ 322.04405 169.6
[M]- 322.04515 169.6
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.