CID 118796566

5-fluoro-mn-24

Structural Information

Molecular Formula
C24H23FN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CN(C4=CC=CC=C43)CCCCCF
InChI
InChI=1S/C24H23FN2O/c25-15-6-1-7-16-27-17-21(20-12-4-5-14-23(20)27)24(28)26-22-13-8-10-18-9-2-3-11-19(18)22/h2-5,8-14,17H,1,6-7,15-16H2,(H,26,28)
InChIKey
DJKVOBZLMBHFKX-UHFFFAOYSA-N
Compound name
1-(5-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

374.17944 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.186716 191.1
[M+Na]+ 397.168658 198.6
[M-H]- 373.172164 196.7
[M+NH4]+ 392.213263 205.1
[M+K]+ 413.142598 190.8
[M+H-H2O]+ 357.176700 180.4
[M+HCOO]- 419.177641 211.6
[M+CH3COO]- 433.193291 200.7
[M+Na-2H]- 395.154106 194.3
[M]+ 374.17889142 193.1
[M]- 374.17998858 193.1
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