CID 73996050

1375084-46-0

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C22H16N2O2/c23-13-15-9-11-16(12-10-15)24-22(25)26-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,14H2,(H,24,25)
InChIKey
GGFSOILXTNKWET-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.128476 189.4
[M+Na]+ 363.110418 200.0
[M-H]- 339.113924 195.6
[M+NH4]+ 358.155023 204.1
[M+K]+ 379.084358 189.8
[M+H-H2O]+ 323.118460 174.7
[M+HCOO]- 385.119401 207.8
[M+CH3COO]- 399.135051 198.4
[M+Na-2H]- 361.095866 192.1
[M]+ 340.12065142 185.4
[M]- 340.12174858 185.4
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.