CID 3039385

(+-)-10,11-dihydro-12-propyl-5h-dibenzo(a,d)cyclohepten-5,10-imine

Structural Information

Molecular Formula
C18H19N
SMILES
CCCN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H19N/c1-2-11-19-17-12-13-7-3-4-8-14(13)18(19)16-10-6-5-9-15(16)17/h3-10,17-18H,2,11-12H2,1H3
InChIKey
QWPRABBYXJDGNR-UHFFFAOYSA-N
Compound name
16-propyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 158.3
[M+Na]+ 272.140968 166.8
[M-H]- 248.144474 161.5
[M+NH4]+ 267.185573 179.9
[M+K]+ 288.114908 160.5
[M+H-H2O]+ 232.149010 150.8
[M+HCOO]- 294.149951 175.5
[M+CH3COO]- 308.165601 170.0
[M+Na-2H]- 270.126416 164.3
[M]+ 249.15120142 158.7
[M]- 249.15229858 158.7
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.