CID 202619

Brn 2734706

Structural Information

Molecular Formula
C17H15NO
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CNC=O
InChI
InChI=1S/C17H15NO/c19-12-18-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-10,12,17H,11H2,(H,18,19)
InChIKey
IUUZSBMEXRSTNP-UHFFFAOYSA-N
Compound name
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

249.11537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 154.9
[M+Na]+ 272.10459 167.9
[M+NH4]+ 267.14919 164.1
[M+K]+ 288.07853 160.2
[M-H]- 248.10809 159.4
[M+Na-2H]- 270.09004 162.8
[M]+ 249.11482 158.2
[M]- 249.11592 158.2
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

patents stripe