CID 329841

68101-64-4

Structural Information

Molecular Formula
C23H17NO
SMILES
C1C2=CC=CC=C2N(C1=O)C3C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C23H17NO/c25-22-15-18-9-3-6-12-21(18)24(22)23-19-10-4-1-7-16(19)13-14-17-8-2-5-11-20(17)23/h1-14,23H,15H2
InChIKey
QHOCZUNEVBFWBF-UHFFFAOYSA-N
Compound name
1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.131 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13828 179.5
[M+Na]+ 346.12022 188.4
[M-H]- 322.12372 189.1
[M+NH4]+ 341.16482 196.2
[M+K]+ 362.09416 183.9
[M+H-H2O]+ 306.12826 172.8
[M+HCOO]- 368.12920 197.9
[M+CH3COO]- 382.14485 190.4
[M+Na-2H]- 344.10567 183.6
[M]+ 323.13045 176.9
[M]- 323.13155 176.9
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.