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]+ 284.212106 172.5
[M+Na]+ 306.194048 178.3
[M-H]- 282.197554 174.5
[M+NH4]+ 301.238653 190.2
[M+K]+ 322.167988 172.7
[M+H-H2O]+ 266.202090 171.0
[M+HCOO]- 328.203031 181.8
[M+CH3COO]- 342.218681 179.8
[M+Na-2H]- 304.179496 181.9
[M]+ 283.20428142 169.3
[M]- 283.20537858 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.