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 154.4
[M+Na]+ 272.10459 161.4
[M-H]- 248.10809 161.1
[M+NH4]+ 267.14919 172.6
[M+K]+ 288.07853 160.5
[M+H-H2O]+ 232.11263 149.5
[M+HCOO]- 294.11357 176.8
[M+CH3COO]- 308.12922 166.5
[M+Na-2H]- 270.09004 163.2
[M]+ 249.11482 152.5
[M]- 249.11592 152.5
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