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]+ 280.169596 165.3
[M+Na]+ 302.151538 168.1
[M-H]- 278.155044 172.7
[M+NH4]+ 297.196143 180.4
[M+K]+ 318.125478 167.8
[M+H-H2O]+ 262.159580 159.0
[M+HCOO]- 324.160521 184.8
[M+CH3COO]- 338.176171 175.3
[M+Na-2H]- 300.136986 169.9
[M]+ 279.16177142 158.9
[M]- 279.16286858 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.