CID 6434989

10,11,12-trihydro-3-(1-methyl-3-pyrrolidinyl)methyl-5h-dibenzo(a,d)cyclooctene

Structural Information

Molecular Formula
C22H27N
SMILES
CN1CCC(C1)CC2=CC3=C(CC4=C(C=CCC4)/C=C\C3)C=C2
InChI
InChI=1S/C22H27N/c1-23-12-11-18(16-23)13-17-9-10-22-15-21-6-3-2-5-19(21)7-4-8-20(22)14-17/h2,4-5,7,9-10,14,18H,3,6,8,11-13,15-16H2,1H3/b7-4-
InChIKey
LCHQOMBJKRQHER-DAXSKMNVSA-N
Compound name
1-methyl-3-[[(10Z)-6-tricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,10,13-hexaenyl]methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22164 174.1
[M+Na]+ 328.20358 178.1
[M-H]- 304.20708 176.8
[M+NH4]+ 323.24818 181.7
[M+K]+ 344.17752 175.9
[M+H-H2O]+ 288.21162 168.8
[M+HCOO]- 350.21256 180.9
[M+CH3COO]- 364.22821 177.4
[M+Na-2H]- 326.18903 171.7
[M]+ 305.21381 171.9
[M]- 305.21491 171.9
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.