CID 52672

73855-81-9

Structural Information

Molecular Formula
C18H20N2
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CC(C4)N
InChI
InChI=1S/C18H20N2/c19-15-11-20(12-15)18-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)18/h1-8,15,18H,9-12,19H2
InChIKey
VSTTXWATQKCPGB-UHFFFAOYSA-N
Compound name
1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

264.16266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 161.7
[M+Na]+ 287.15188 167.2
[M-H]- 263.15538 168.9
[M+NH4]+ 282.19648 171.9
[M+K]+ 303.12582 167.6
[M+H-H2O]+ 247.15992 150.7
[M+HCOO]- 309.16086 178.6
[M+CH3COO]- 323.17651 171.8
[M+Na-2H]- 285.13733 166.7
[M]+ 264.16211 163.6
[M]- 264.16321 163.6
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.