CID 18715159

Dfv2d34wty

Structural Information

Molecular Formula
C19H19ClN2
SMILES
C1CC2=C(C=CC(=C2)Cl)C(C3=C1C=CC=N3)C4=CCNCC4
InChI
InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-7,9,12,18,21H,3-4,8,10-11H2
InChIKey
ADSCCBORDDPTRQ-UHFFFAOYSA-N
Compound name
13-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

310.1237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.130976 172.2
[M+Na]+ 333.112918 179.7
[M-H]- 309.116424 176.5
[M+NH4]+ 328.157523 185.6
[M+K]+ 349.086858 175.2
[M+H-H2O]+ 293.120960 163.4
[M+HCOO]- 355.121901 181.6
[M+CH3COO]- 369.137551 181.2
[M+Na-2H]- 331.098366 177.1
[M]+ 310.12315142 166.0
[M]- 310.12424858 166.0
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