CID 486354

6-amino-2-[(4-naphthylphenyl)sulfonyl]benzenecarbonitrile

Structural Information

Molecular Formula
C23H16N2O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC(=C4C#N)N
InChI
InChI=1S/C23H16N2O2S/c24-15-21-22(25)9-4-10-23(21)28(26,27)18-13-11-17(12-14-18)20-8-3-6-16-5-1-2-7-19(16)20/h1-14H,25H2
InChIKey
PIJOKCAQASKNTF-UHFFFAOYSA-N
Compound name
2-amino-6-(4-naphthalen-1-ylphenyl)sulfonylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.09326 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10054 208.4
[M+Na]+ 407.08248 220.2
[M-H]- 383.08598 216.5
[M+NH4]+ 402.12708 219.2
[M+K]+ 423.05642 209.9
[M+H-H2O]+ 367.09052 193.3
[M+HCOO]- 429.09146 221.4
[M+CH3COO]- 443.10711 216.2
[M+Na-2H]- 405.06793 210.3
[M]+ 384.09271 203.9
[M]- 384.09381 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.