CID 209437

Brn 2815581

Structural Information

Molecular Formula
C19H19NO2
SMILES
CCOC(=O)NCC1C2=CC=CC=C2C=CC3=CC=CC=C13
InChI
InChI=1S/C19H19NO2/c1-2-22-19(21)20-13-18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-12,18H,2,13H2,1H3,(H,20,21)
InChIKey
IYDOQYHSJRKNMQ-UHFFFAOYSA-N
Compound name
ethyl N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 166.9
[M+Na]+ 316.13079 172.7
[M-H]- 292.13429 173.3
[M+NH4]+ 311.17539 183.4
[M+K]+ 332.10473 172.8
[M+H-H2O]+ 276.13883 161.5
[M+HCOO]- 338.13977 187.9
[M+CH3COO]- 352.15542 178.0
[M+Na-2H]- 314.11624 173.5
[M]+ 293.14102 166.2
[M]- 293.14212 166.2
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.