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]+ 282.148846 162.9
[M+Na]+ 304.130788 168.2
[M-H]- 280.134294 169.2
[M+NH4]+ 299.175393 179.8
[M+K]+ 320.104728 168.5
[M+H-H2O]+ 264.138830 157.7
[M+HCOO]- 326.139771 182.9
[M+CH3COO]- 340.155421 173.9
[M+Na-2H]- 302.116236 169.2
[M]+ 281.14102142 160.6
[M]- 281.14211858 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.