CID 3087077

Brn 4454916

Structural Information

Molecular Formula
C18H17NO
SMILES
C1CC2=CC=CC=C2C(=CCC(=O)N)C3=CC=CC=C31
InChI
InChI=1S/C18H17NO/c19-18(20)12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,11H,9-10,12H2,(H2,19,20)
InChIKey
HYVBBSPFNBHCID-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.131 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13828 159.0
[M+Na]+ 286.12022 164.7
[M-H]- 262.12372 164.8
[M+NH4]+ 281.16482 176.3
[M+K]+ 302.09416 163.4
[M+H-H2O]+ 246.12826 154.1
[M+HCOO]- 308.12920 178.5
[M+CH3COO]- 322.14485 170.0
[M+Na-2H]- 284.10567 164.3
[M]+ 263.13045 153.9
[M]- 263.13155 153.9
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.