CID 91743670

2365471-31-2

Structural Information

Molecular Formula
C24H21NO2
SMILES
C1C(O1)CCCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H21NO2/c26-24(21-12-5-8-17-7-1-2-10-19(17)21)22-15-25(14-6-9-18-16-27-18)23-13-4-3-11-20(22)23/h1-5,7-8,10-13,15,18H,6,9,14,16H2
InChIKey
WWVMNUMWFUXVSG-UHFFFAOYSA-N
Compound name
naphthalen-1-yl-[1-[3-(oxiran-2-yl)propyl]indol-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.164506 184.3
[M+Na]+ 378.146448 194.5
[M-H]- 354.149954 195.3
[M+NH4]+ 373.191053 193.3
[M+K]+ 394.120388 188.6
[M+H-H2O]+ 338.154490 175.2
[M+HCOO]- 400.155431 204.3
[M+CH3COO]- 414.171081 195.0
[M+Na-2H]- 376.131896 188.1
[M]+ 355.15668142 190.5
[M]- 355.15777858 190.5
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.