CID 275809

Ethyl n-(9,10-dihydro-9,10-ethanoanthracen-11-yl)carbamate

Structural Information

Molecular Formula
C19H19NO2
SMILES
CCOC(=O)NC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C19H19NO2/c1-2-22-19(21)20-17-11-16-12-7-3-5-9-14(12)18(17)15-10-6-4-8-13(15)16/h3-10,16-18H,2,11H2,1H3,(H,20,21)
InChIKey
IZHNIWLBVIDJPB-UHFFFAOYSA-N
Compound name
ethyl N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 164.2
[M+Na]+ 316.13079 168.1
[M-H]- 292.13429 166.0
[M+NH4]+ 311.17539 183.7
[M+K]+ 332.10473 164.0
[M+H-H2O]+ 276.13883 155.9
[M+HCOO]- 338.13977 177.5
[M+CH3COO]- 352.15542 173.7
[M+Na-2H]- 314.11624 173.5
[M]+ 293.14102 166.6
[M]- 293.14212 166.6
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.