CID 36168

5-(2-(p-methoxyphenyl)hydrazino)-4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene 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]+ 286.19138 173.8
[M+Na]+ 308.17332 180.9
[M-H]- 284.17682 176.5
[M+NH4]+ 303.21792 191.8
[M+K]+ 324.14726 177.1
[M+H-H2O]+ 268.18136 172.5
[M+HCOO]- 330.18230 184.4
[M+CH3COO]- 344.19795 181.8
[M+Na-2H]- 306.15877 183.9
[M]+ 285.18355 173.3
[M]- 285.18465 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.