CID 3022110

Sr 42399

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H19N3O/c23-15-10-12-22(13-11-15)19-9-8-18(20-21-19)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,15,23H,10-13H2
InChIKey
JOQTXNLDECSXII-UHFFFAOYSA-N
Compound name
1-(6-naphthalen-1-ylpyridazin-3-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16008 174.2
[M+Na]+ 328.14202 180.3
[M-H]- 304.14552 178.3
[M+NH4]+ 323.18662 184.3
[M+K]+ 344.11596 173.2
[M+H-H2O]+ 288.15006 162.2
[M+HCOO]- 350.15100 187.9
[M+CH3COO]- 364.16665 182.7
[M+Na-2H]- 326.12747 179.2
[M]+ 305.15225 168.6
[M]- 305.15335 168.6
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

No patent data available for this compound.