CID 6434989

67195-38-4

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]+ 306.221636 174.1
[M+Na]+ 328.203578 178.1
[M-H]- 304.207084 176.8
[M+NH4]+ 323.248183 181.7
[M+K]+ 344.177518 175.9
[M+H-H2O]+ 288.211620 168.8
[M+HCOO]- 350.212561 180.9
[M+CH3COO]- 364.228211 177.4
[M+Na-2H]- 326.189026 171.7
[M]+ 305.21381142 171.9
[M]- 305.21490858 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.