CID 2998301

1008695-48-4

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC12CCC(=O)N1C(CC3=C2NC4=CC=CC=C34)C(=O)O
InChI
InChI=1S/C16H16N2O3/c1-16-7-6-13(19)18(16)12(15(20)21)8-10-9-4-2-3-5-11(9)17-14(10)16/h2-5,12,17H,6-8H2,1H3,(H,20,21)
InChIKey
NZDWCAYIVCYIPK-UHFFFAOYSA-N
Compound name
11b-methyl-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 165.2
[M+Na]+ 307.10532 175.1
[M-H]- 283.10882 167.1
[M+NH4]+ 302.14992 185.8
[M+K]+ 323.07926 169.2
[M+H-H2O]+ 267.11336 159.2
[M+HCOO]- 329.11430 179.6
[M+CH3COO]- 343.12995 176.2
[M+Na-2H]- 305.09077 167.3
[M]+ 284.11555 164.3
[M]- 284.11665 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.