CID 11523906

Schembl14253198

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1CCC(CC1)C2=C3C4=CC=CC=C4C=C(N3C5=C2C=CC(=C5)C(=O)O)C(=O)O
InChI
InChI=1S/C24H21NO4/c26-23(27)16-10-11-18-19(13-16)25-20(24(28)29)12-15-8-4-5-9-17(15)22(25)21(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,26,27)(H,28,29)
InChIKey
NZWMLBHEHONATK-UHFFFAOYSA-N
Compound name
12-cyclohexylindolo[2,1-a]isoquinoline-6,9-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.14706 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 189.8
[M+Na]+ 410.13628 197.2
[M-H]- 386.13978 195.5
[M+NH4]+ 405.18088 202.8
[M+K]+ 426.11022 190.7
[M+H-H2O]+ 370.14432 181.2
[M+HCOO]- 432.14526 203.4
[M+CH3COO]- 446.16091 198.7
[M+Na-2H]- 408.12173 191.1
[M]+ 387.14651 189.6
[M]- 387.14761 189.6
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