CID 388370

Nsc683264

Structural Information

Molecular Formula
C27H24N2O3S
SMILES
C1=CC=C(C=C1)CC2=CC(=CC=C2)NC(=NC3=CC=CC(=C3)CC4=CC=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C27H24N2O3S/c30-33(31,32)27(28-25-15-7-13-23(19-25)17-21-9-3-1-4-10-21)29-26-16-8-14-24(20-26)18-22-11-5-2-6-12-22/h1-16,19-20H,17-18H2,(H,28,29)(H,30,31,32)
InChIKey
DVFLSZFAZYLCFW-UHFFFAOYSA-N
Compound name
(3-benzylanilino)-(3-benzylphenyl)iminomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.15076 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.15804 209.6
[M+Na]+ 479.13998 213.9
[M-H]- 455.14348 221.1
[M+NH4]+ 474.18458 216.7
[M+K]+ 495.11392 206.6
[M+H-H2O]+ 439.14802 198.4
[M+HCOO]- 501.14896 227.4
[M+CH3COO]- 515.16461 232.0
[M+Na-2H]- 477.12543 213.4
[M]+ 456.15021 209.7
[M]- 456.15131 209.7
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.