CID 37359

Brn 3064251

Structural Information

Molecular Formula
C21H27N
SMILES
CC1C2=CC=CC=C2CCC3=C1C(=CC=C3)CCCN(C)C
InChI
InChI=1S/C21H27N/c1-16-20-12-5-4-8-17(20)13-14-19-10-6-9-18(21(16)19)11-7-15-22(2)3/h4-6,8-10,12,16H,7,11,13-15H2,1-3H3
InChIKey
MMBCMSAGIIROBG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-methyl-4-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

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 170.7
[M+Na]+ 316.20358 182.9
[M+NH4]+ 311.24818 180.1
[M+K]+ 332.17752 174.8
[M-H]- 292.20708 175.9
[M+Na-2H]- 314.18903 177.2
[M]+ 293.21381 174.2
[M]- 293.21491 174.2
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.