CID 135426073

73909-17-8

Structural Information

Molecular Formula
C15H15IN2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC(=C(C(=C2)I)O)OC
InChI
InChI=1S/C15H15IN2O4S/c1-10-3-5-12(6-4-10)23(20,21)18-17-9-11-7-13(16)15(19)14(8-11)22-2/h3-9,18-19H,1-2H3/b17-9+
InChIKey
NSWQPHBPTKKAEU-RQZCQDPDSA-N
Compound name
N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.97974 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.98702 193.2
[M+Na]+ 468.96896 194.0
[M-H]- 444.97246 192.9
[M+NH4]+ 464.01356 201.9
[M+K]+ 484.94290 195.5
[M+H-H2O]+ 428.97700 181.1
[M+HCOO]- 490.97794 207.8
[M+CH3COO]- 504.99359 218.8
[M+Na-2H]- 466.95441 184.1
[M]+ 445.97919 194.4
[M]- 445.98029 194.4
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.