CID 57458897

335161-27-8

Structural Information

Molecular Formula
C24H21FN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=C3C=CC(=C4)[N+](=O)[O-])CCCCCF
InChI
InChI=1S/C24H21FN2O3/c25-13-4-1-5-14-26-16-22(20-12-11-18(27(29)30)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16H,1,4-5,13-14H2
InChIKey
LNGVQORPSNNMSZ-UHFFFAOYSA-N
Compound name
[1-(5-fluoropentyl)-6-nitroindol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

404.15363 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16091 198.4
[M+Na]+ 427.14285 204.9
[M-H]- 403.14635 204.2
[M+NH4]+ 422.18745 210.2
[M+K]+ 443.11679 193.9
[M+H-H2O]+ 387.15089 192.0
[M+HCOO]- 449.15183 218.4
[M+CH3COO]- 463.16748 220.2
[M+Na-2H]- 425.12830 202.0
[M]+ 404.15308 199.9
[M]- 404.15418 199.9
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

patents stripe