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

literature stripe

Patent stripe

patents stripe