CID 3046022

Brn 0443784

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC(=O)N(C)C1CN(C1)C2C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C21H24N2O/c1-15(24)22(2)18-13-23(14-18)21-19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21/h3-10,18,21H,11-14H2,1-2H3
InChIKey
NSJHAKVDHUEIJB-UHFFFAOYSA-N
Compound name
N-methyl-N-[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)azetidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 177.8
[M+Na]+ 343.17809 181.7
[M-H]- 319.18159 186.2
[M+NH4]+ 338.22269 186.3
[M+K]+ 359.15203 183.9
[M+H-H2O]+ 303.18613 166.0
[M+HCOO]- 365.18707 194.0
[M+CH3COO]- 379.20272 187.0
[M+Na-2H]- 341.16354 180.2
[M]+ 320.18832 182.5
[M]- 320.18942 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.