CID 35878

Brn 2874140

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCOC(=O)NC1CC2=CC=CC=C2CC3=CC=CC=C13
InChI
InChI=1S/C18H19NO2/c1-2-21-18(20)19-17-12-14-8-4-3-7-13(14)11-15-9-5-6-10-16(15)17/h3-10,17H,2,11-12H2,1H3,(H,19,20)
InChIKey
MJALAJNDHFFMGR-UHFFFAOYSA-N
Compound name
ethyl N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 162.9
[M+Na]+ 304.13079 168.2
[M-H]- 280.13429 169.2
[M+NH4]+ 299.17539 179.8
[M+K]+ 320.10473 168.5
[M+H-H2O]+ 264.13883 157.7
[M+HCOO]- 326.13977 182.9
[M+CH3COO]- 340.15542 173.9
[M+Na-2H]- 302.11624 169.2
[M]+ 281.14102 160.6
[M]- 281.14212 160.6
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.