CID 49549

Brn 2392108

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC(=O)NC(=O)NC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C18H18N2O2/c1-12(21)19-18(22)20-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9,17H,10-11H2,1H3,(H2,19,20,21,22)
InChIKey
BRASPRMXODWROJ-UHFFFAOYSA-N
Compound name
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 165.9
[M+Na]+ 317.12606 170.5
[M-H]- 293.12956 172.3
[M+NH4]+ 312.17066 181.9
[M+K]+ 333.10000 171.3
[M+H-H2O]+ 277.13410 160.4
[M+HCOO]- 339.13504 186.1
[M+CH3COO]- 353.15069 208.5
[M+Na-2H]- 315.11151 171.6
[M]+ 294.13629 161.8
[M]- 294.13739 161.8
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.