CID 3063566

Quinolino(2':3'-1:2)juloline-4-carboxylic acid

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1C=CN2CC3=C(C4=CC=CC=C4N=C3C5=CC=CC1=C52)C(=O)O
InChI
InChI=1S/C20H14N2O2/c23-20(24)17-13-7-1-2-9-16(13)21-18-14-8-3-5-12-6-4-10-22(19(12)14)11-15(17)18/h1-5,7-10H,6,11H2,(H,23,24)
InChIKey
DYUYBNKWDQSFAP-UHFFFAOYSA-N
Compound name
3,13-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,14,17(21),18-nonaene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 171.2
[M+Na]+ 337.09475 179.3
[M-H]- 313.09825 173.2
[M+NH4]+ 332.13935 185.9
[M+K]+ 353.06869 172.5
[M+H-H2O]+ 297.10279 160.8
[M+HCOO]- 359.10373 183.0
[M+CH3COO]- 373.11938 180.5
[M+Na-2H]- 335.08020 179.5
[M]+ 314.10498 170.5
[M]- 314.10608 170.5
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

No patent data available for this compound.