CID 31963

Brn 2813668

Structural Information

Molecular Formula
C22H29N
SMILES
CC(C)(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C
InChI
InChI=1S/C22H29N/c1-22(2,16-23(3)4)15-21-19-11-7-5-9-17(19)13-14-18-10-6-8-12-20(18)21/h5-12,21H,13-16H2,1-4H3
InChIKey
AVEOVZQNVOYRMN-UHFFFAOYSA-N
Compound name
N,N,2,2-tetramethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.23 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23728 177.0
[M+Na]+ 330.21922 188.3
[M+NH4]+ 325.26382 186.0
[M+K]+ 346.19316 180.9
[M-H]- 306.22272 181.5
[M+Na-2H]- 328.20467 183.3
[M]+ 307.22945 180.2
[M]- 307.23055 180.2
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.