CID 119025888

Fdu-pb-22

Structural Information

Molecular Formula
C26H18FNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
InChI
InChI=1S/C26H18FNO2/c27-20-14-12-18(13-15-20)16-28-17-23(22-9-3-4-10-24(22)28)26(29)30-25-11-5-7-19-6-1-2-8-21(19)25/h1-15,17H,16H2
InChIKey
RCEKSVIFQKKFLS-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 1-[(4-fluorophenyl)methyl]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

12
Patents

395.13217 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13945 196.4
[M+Na]+ 418.12139 205.8
[M-H]- 394.12489 205.7
[M+NH4]+ 413.16599 209.2
[M+K]+ 434.09533 197.8
[M+H-H2O]+ 378.12943 184.7
[M+HCOO]- 440.13037 216.2
[M+CH3COO]- 454.14602 206.4
[M+Na-2H]- 416.10684 199.0
[M]+ 395.13162 198.5
[M]- 395.13272 198.5
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