CID 978481

5-{[n-(diphenylmethyl)carbamoyl]methyl}naphthalenesulfinic acid

Structural Information

Molecular Formula
C25H21NO3S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CC3=C4C=CC=C(C4=CC=C3)S(=O)O
InChI
InChI=1S/C25H21NO3S/c27-24(17-20-13-7-15-22-21(20)14-8-16-23(22)30(28)29)26-25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,25H,17H2,(H,26,27)(H,28,29)
InChIKey
DQKUHQGDWWMCIU-UHFFFAOYSA-N
Compound name
5-[2-(benzhydrylamino)-2-oxoethyl]naphthalene-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1242 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13148 196.7
[M+Na]+ 438.11342 200.8
[M-H]- 414.11692 204.8
[M+NH4]+ 433.15802 206.1
[M+K]+ 454.08736 194.4
[M+H-H2O]+ 398.12146 187.2
[M+HCOO]- 460.12240 210.6
[M+CH3COO]- 474.13805 204.5
[M+Na-2H]- 436.09887 198.4
[M]+ 415.12365 197.0
[M]- 415.12475 197.0
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.