CID 494914

Nsc636474

Structural Information

Molecular Formula
C24H27NO2
SMILES
COC(CC1=CC=CC=C1)NC(=O)C23CCCCC2C=CC4=CC=CC=C34
InChI
InChI=1S/C24H27NO2/c1-27-22(17-18-9-3-2-4-10-18)25-23(26)24-16-8-7-12-20(24)15-14-19-11-5-6-13-21(19)24/h2-6,9-11,13-15,20,22H,7-8,12,16-17H2,1H3,(H,25,26)
InChIKey
MARLISVSUPEHBT-UHFFFAOYSA-N
Compound name
N-(1-methoxy-2-phenylethyl)-2,3,4,10a-tetrahydro-1H-phenanthrene-4a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 188.5
[M+Na]+ 384.19342 190.8
[M-H]- 360.19692 194.6
[M+NH4]+ 379.23802 203.3
[M+K]+ 400.16736 185.7
[M+H-H2O]+ 344.20146 178.5
[M+HCOO]- 406.20240 203.8
[M+CH3COO]- 420.21805 196.4
[M+Na-2H]- 382.17887 192.5
[M]+ 361.20365 184.5
[M]- 361.20475 184.5
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.