CID 215135

Brn 2870442

Structural Information

Molecular Formula
C19H21NO
SMILES
C1CCC2=CC=CC=C2C(C1)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c21-19(14-15-8-2-1-3-9-15)20-18-13-7-5-11-16-10-4-6-12-17(16)18/h1-4,6,8-10,12,18H,5,7,11,13-14H2,(H,20,21)
InChIKey
JMHILDQFGMSBGF-UHFFFAOYSA-N
Compound name
2-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 165.3
[M+Na]+ 302.15154 168.1
[M-H]- 278.15504 172.7
[M+NH4]+ 297.19614 180.4
[M+K]+ 318.12548 167.8
[M+H-H2O]+ 262.15958 159.0
[M+HCOO]- 324.16052 184.8
[M+CH3COO]- 338.17617 175.3
[M+Na-2H]- 300.13699 169.9
[M]+ 279.16177 158.9
[M]- 279.16287 158.9
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.