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

29
Patents

292.1212 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 169.0
[M+Na]+ 315.11042 178.8
[M-H]- 291.11392 174.4
[M+NH4]+ 310.15502 187.0
[M+K]+ 331.08436 172.3
[M+H-H2O]+ 275.11846 161.6
[M+HCOO]- 337.11940 186.9
[M+CH3COO]- 351.13505 180.5
[M+Na-2H]- 313.09587 169.0
[M]+ 292.12065 168.4
[M]- 292.12175 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