CID 135618183

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

Structural Information

Molecular Formula
C18H25N3
SMILES
C1C2CC3CC1CC(C2)NC3=NCCNC4=CC=CC=C4
InChI
InChI=1S/C18H25N3/c1-2-4-16(5-3-1)19-6-7-20-18-15-9-13-8-14(10-15)12-17(11-13)21-18/h1-5,13-15,17,19H,6-12H2,(H,20,21)
InChIKey
VMWGBVICWOCHOR-UHFFFAOYSA-N
Compound name
N-[2-(4-azatricyclo[4.3.1.13,8]undecan-5-ylideneamino)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 172.5
[M+Na]+ 306.19405 178.3
[M-H]- 282.19755 174.5
[M+NH4]+ 301.23865 190.2
[M+K]+ 322.16799 172.7
[M+H-H2O]+ 266.20209 171.0
[M+HCOO]- 328.20303 181.8
[M+CH3COO]- 342.21868 179.8
[M+Na-2H]- 304.17950 181.9
[M]+ 283.20428 169.3
[M]- 283.20538 169.3
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.