CID 5310985

Gts-21

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC
InChI
InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
InChIKey
RPYWXZCFYPVCNQ-RVDMUPIBSA-N
Compound name
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

181
References

1344
Patents

308.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 174.6
[M+Na]+ 331.141688 181.2
[M-H]- 307.145194 181.0
[M+NH4]+ 326.186293 186.1
[M+K]+ 347.115628 175.9
[M+H-H2O]+ 291.149730 163.5
[M+HCOO]- 353.150671 193.5
[M+CH3COO]- 367.166321 184.7
[M+Na-2H]- 329.127136 178.2
[M]+ 308.15192142 173.9
[M]- 308.15301858 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe