CID 11372171

824961-41-3

Structural Information

Molecular Formula
C25H25NO2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=CC(=C4)OC
InChI
InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-10-5-6-12-24(21)26)25(27)22-11-8-9-18-16-19(28-2)13-14-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKey
JCOOBICVPDFZNX-UHFFFAOYSA-N
Compound name
(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

371.18854 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 193.7
[M+Na]+ 394.17776 202.2
[M-H]- 370.18126 201.0
[M+NH4]+ 389.22236 208.4
[M+K]+ 410.15170 195.4
[M+H-H2O]+ 354.18580 184.1
[M+HCOO]- 416.18674 213.9
[M+CH3COO]- 430.20239 204.1
[M+Na-2H]- 392.16321 195.5
[M]+ 371.18799 199.4
[M]- 371.18909 199.4
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