CID 244378

Tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaen-15-amine

Structural Information

Molecular Formula
C16H15N
SMILES
C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)N
InChI
InChI=1S/C16H15N/c17-15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9,17H2
InChIKey
URRYLKCWJQMOQX-UHFFFAOYSA-N
Compound name
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

221.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 145.2
[M+Na]+ 244.10967 151.0
[M-H]- 220.11317 147.4
[M+NH4]+ 239.15427 167.8
[M+K]+ 260.08361 145.8
[M+H-H2O]+ 204.11771 137.8
[M+HCOO]- 266.11865 159.7
[M+CH3COO]- 280.13430 156.3
[M+Na-2H]- 242.09512 156.2
[M]+ 221.11990 144.5
[M]- 221.12100 144.5
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