CID 4402318

Gat211

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2
InChIKey
OHZDCJJHWPHZJD-UHFFFAOYSA-N
Compound name
3-(2-nitro-1-phenylethyl)-2-phenyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

22
Patents

342.13684 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 180.3
[M+Na]+ 365.12606 197.2
[M+NH4]+ 360.17066 189.2
[M+K]+ 381.10000 192.0
[M-H]- 341.12956 188.4
[M+Na-2H]- 363.11151 191.2
[M]+ 342.13629 185.1
[M]- 342.13739 185.1
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

patents stripe