CID 91713114

1435934-29-4

Structural Information

Molecular Formula
C25H25NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCCO
InChI
InChI=1S/C25H25NO2/c27-17-8-2-1-7-16-26-18-23(21-13-5-6-15-24(21)26)25(28)22-14-9-11-19-10-3-4-12-20(19)22/h3-6,9-15,18,27H,1-2,7-8,16-17H2
InChIKey
LBVZVDUWOZUDJT-UHFFFAOYSA-N
Compound name
[1-(6-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 192.9
[M+Na]+ 394.17776 200.1
[M-H]- 370.18126 198.5
[M+NH4]+ 389.22236 206.6
[M+K]+ 410.15170 192.5
[M+H-H2O]+ 354.18580 183.5
[M+HCOO]- 416.18674 211.7
[M+CH3COO]- 430.20239 202.3
[M+Na-2H]- 392.16321 195.2
[M]+ 371.18799 196.4
[M]- 371.18909 196.4
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.