CID 135470788

281211-72-1

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H14N2O4S/c1-10-2-6-13(7-3-10)21(19,20)16-15-9-11-4-5-12(17)8-14(11)18/h2-9,16-18H,1H3/b15-9+
InChIKey
MXRSKWGCPXFRBC-OQLLNIDSSA-N
Compound name
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.0674 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 166.4
[M+Na]+ 329.05662 174.2
[M-H]- 305.06012 172.3
[M+NH4]+ 324.10122 180.4
[M+K]+ 345.03056 169.2
[M+H-H2O]+ 289.06466 158.9
[M+HCOO]- 351.06560 185.7
[M+CH3COO]- 365.08125 202.8
[M+Na-2H]- 327.04207 171.2
[M]+ 306.06685 168.4
[M]- 306.06795 168.4
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

patents stripe