CID 36168

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(2-(p-methoxyphenyl)hydrazino)-, hydrochloride

Structural Information

Molecular Formula
C17H23N3O
SMILES
COC1=CC=C(C=C1)NNC2=NC3CC4CC(C3)CC2C4
InChI
InChI=1S/C17H23N3O/c1-21-16-4-2-14(3-5-16)19-20-17-13-7-11-6-12(8-13)10-15(9-11)18-17/h2-5,11-13,15,19H,6-10H2,1H3,(H,18,20)
InChIKey
WGZIEJFMCNMFPK-UHFFFAOYSA-N
Compound name
1-(4-azatricyclo[4.3.1.13,8]undec-4-en-5-yl)-2-(4-methoxyphenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.191376 173.8
[M+Na]+ 308.173318 180.9
[M-H]- 284.176824 176.5
[M+NH4]+ 303.217923 191.8
[M+K]+ 324.147258 177.1
[M+H-H2O]+ 268.181360 172.5
[M+HCOO]- 330.182301 184.4
[M+CH3COO]- 344.197951 181.8
[M+Na-2H]- 306.158766 183.9
[M]+ 285.18355142 173.3
[M]- 285.18464858 173.3
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.