CID 135618185

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(2-(n-methylanilino)ethylamino)-, hydrochloride

Structural Information

Molecular Formula
C19H27N3
SMILES
CN(CCN=C1C2CC3CC(C2)CC(C3)N1)C4=CC=CC=C4
InChI
InChI=1S/C19H27N3/c1-22(18-5-3-2-4-6-18)8-7-20-19-16-10-14-9-15(11-16)13-17(12-14)21-19/h2-6,14-17H,7-13H2,1H3,(H,20,21)
InChIKey
ZBTUKGNFCPYEDJ-UHFFFAOYSA-N
Compound name
N-[2-(4-azatricyclo[4.3.1.13,8]undecan-5-ylideneamino)ethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.2205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22778 158.0
[M+Na]+ 320.20972 162.4
[M+NH4]+ 315.25432 165.3
[M+K]+ 336.18366 158.9
[M-H]- 296.21322 157.9
[M+Na-2H]- 318.19517 157.0
[M]+ 297.21995 158.5
[M]- 297.22105 158.5
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.