CID 3039879

Spiro(5h-dibenzo(a,d)cycloheptene-5,1'-cyclohex-2'-en)-4'-amine, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H19N
SMILES
C1CC2(C=CC1N)C3=CC=CC=C3C=CC4=CC=CC=C24
InChI
InChI=1S/C20H19N/c21-17-11-13-20(14-12-17)18-7-3-1-5-15(18)9-10-16-6-2-4-8-19(16)20/h1-11,13,17H,12,14,21H2
InChIKey
VQPYPHBCZDAFLR-UHFFFAOYSA-N
Compound name
spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.15176 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15904 164.2
[M+Na]+ 296.14098 177.8
[M+NH4]+ 291.18558 175.9
[M+K]+ 312.11492 167.6
[M-H]- 272.14448 170.8
[M+Na-2H]- 294.12643 174.0
[M]+ 273.15121 168.5
[M]- 273.15231 168.5
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

patents stripe