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]+ 388.154336 189.8
[M+Na]+ 410.136278 197.2
[M-H]- 386.139784 195.5
[M+NH4]+ 405.180883 202.8
[M+K]+ 426.110218 190.7
[M+H-H2O]+ 370.144320 181.2
[M+HCOO]- 432.145261 203.4
[M+CH3COO]- 446.160911 198.7
[M+Na-2H]- 408.121726 191.1
[M]+ 387.14651142 189.6
[M]- 387.14760858 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