CID 118796435

Npb-22

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CCCCCN1C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3
InChIKey
UWICFJAXLKCHTQ-UHFFFAOYSA-N
Compound name
quinolin-8-yl 1-pentylindazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

359.1634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 188.4
[M+Na]+ 382.15262 197.4
[M-H]- 358.15612 193.0
[M+NH4]+ 377.19722 200.5
[M+K]+ 398.12656 190.7
[M+H-H2O]+ 342.16066 177.3
[M+HCOO]- 404.16160 206.9
[M+CH3COO]- 418.17725 198.2
[M+Na-2H]- 380.13807 192.6
[M]+ 359.16285 193.5
[M]- 359.16395 193.5
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.