CID 508427

Schembl6283905

Structural Information

Molecular Formula
C19H19NO2
SMILES
CCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO2/c1-2-3-7-13-20-17-15(14-9-5-4-6-10-14)11-8-12-16(17)18(21)19(20)22/h4-6,8-12H,2-3,7,13H2,1H3
InChIKey
QEDOTJXIRMMBJY-UHFFFAOYSA-N
Compound name
1-pentyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

293.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 169.7
[M+Na]+ 316.13079 178.5
[M-H]- 292.13429 176.1
[M+NH4]+ 311.17539 186.9
[M+K]+ 332.10473 172.8
[M+H-H2O]+ 276.13883 161.6
[M+HCOO]- 338.13977 190.9
[M+CH3COO]- 352.15542 204.5
[M+Na-2H]- 314.11624 171.5
[M]+ 293.14102 172.0
[M]- 293.14212 172.0
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