CID 3014179

Benzenesulfonic acid, 2-(((4-(phenylamino)phenyl)imino)methyl)-

Structural Information

Molecular Formula
C19H16N2O3S
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC=CC=C3S(=O)(=O)O
InChI
InChI=1S/C19H16N2O3S/c22-25(23,24)19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)21-17-7-2-1-3-8-17/h1-14,21H,(H,22,23,24)
InChIKey
BKTWCHYMSWDLAB-UHFFFAOYSA-N
Compound name
2-[(4-anilinophenyl)iminomethyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08817 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09545 180.2
[M+Na]+ 375.07739 187.2
[M-H]- 351.08089 189.9
[M+NH4]+ 370.12199 192.4
[M+K]+ 391.05133 180.9
[M+H-H2O]+ 335.08543 171.0
[M+HCOO]- 397.08637 200.7
[M+CH3COO]- 411.10202 212.7
[M+Na-2H]- 373.06284 186.2
[M]+ 352.08762 181.4
[M]- 352.08872 181.4
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.