CID 9860852

Ns-377

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCN1CC2=C(C1)C3=C(C=C2C4=CC=CC=C4)C(=O)C(=O)N3
InChI
InChI=1S/C18H16N2O2/c1-2-20-9-14-12(11-6-4-3-5-7-11)8-13-16(15(14)10-20)19-18(22)17(13)21/h3-8H,2,9-10H2,1H3,(H,19,21,22)
InChIKey
IWRZGAAKMZJBHL-UHFFFAOYSA-N
Compound name
7-ethyl-5-phenyl-6,8-dihydro-1H-pyrrolo[3,4-g]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

292.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 169.0
[M+Na]+ 315.110418 178.8
[M-H]- 291.113924 174.4
[M+NH4]+ 310.155023 187.0
[M+K]+ 331.084358 172.3
[M+H-H2O]+ 275.118460 161.6
[M+HCOO]- 337.119401 186.9
[M+CH3COO]- 351.135051 180.5
[M+Na-2H]- 313.095866 169.0
[M]+ 292.12065142 168.4
[M]- 292.12174858 168.4
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