CID 6410416

Schembl8760968

Structural Information

Molecular Formula
C16H16ClN3
SMILES
CC1=CC(=CC=C1)C2=CCN(CC2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C16H16ClN3/c1-12-3-2-4-14(11-12)13-7-9-20(10-8-13)16-6-5-15(17)18-19-16/h2-7,11H,8-10H2,1H3
InChIKey
ZFEMBLOGBQVWKR-UHFFFAOYSA-N
Compound name
3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

285.10327 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11055 166.4
[M+Na]+ 308.09249 174.9
[M-H]- 284.09599 171.3
[M+NH4]+ 303.13709 178.4
[M+K]+ 324.06643 167.8
[M+H-H2O]+ 268.10053 155.4
[M+HCOO]- 330.10147 179.5
[M+CH3COO]- 344.11712 176.7
[M+Na-2H]- 306.07794 171.0
[M]+ 285.10272 165.2
[M]- 285.10382 165.2
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.