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]+ 250.15903 158.3
[M+Na]+ 272.14097 166.8
[M-H]- 248.14447 161.5
[M+NH4]+ 267.18557 179.9
[M+K]+ 288.11491 160.5
[M+H-H2O]+ 232.14901 150.8
[M+HCOO]- 294.14995 175.5
[M+CH3COO]- 308.16560 170.0
[M+Na-2H]- 270.12642 164.3
[M]+ 249.15120 158.7
[M]- 249.15230 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.