CID 50129

Vufb3111

Structural Information

Molecular Formula
C21H27N
SMILES
CC1=CC2=C(CCC3=CC=CC=C3C2CCCN(C)C)C=C1
InChI
InChI=1S/C21H27N/c1-16-10-11-18-13-12-17-7-4-5-8-19(17)20(21(18)15-16)9-6-14-22(2)3/h4-5,7-8,10-11,15,20H,6,9,12-14H2,1-3H3
InChIKey
LLFITURDELITTI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 170.4
[M+Na]+ 316.20358 175.4
[M-H]- 292.20708 177.6
[M+NH4]+ 311.24818 187.7
[M+K]+ 332.17752 175.0
[M+H-H2O]+ 276.21162 164.7
[M+HCOO]- 338.21256 190.1
[M+CH3COO]- 352.22821 181.2
[M+Na-2H]- 314.18903 174.6
[M]+ 293.21381 169.1
[M]- 293.21491 169.1
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.