CID 24898307

Bl-1021

Structural Information

Molecular Formula
C23H28N2O
SMILES
CN(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)C(=O)CCCN
InChI
InChI=1S/C23H28N2O/c1-25(23(26)13-6-16-24)17-7-12-22-20-10-4-2-8-18(20)14-15-19-9-3-5-11-21(19)22/h2-5,8-12H,6-7,13-17,24H2,1H3
InChIKey
DOIAVGICIXNFIH-UHFFFAOYSA-N
Compound name
4-amino-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

348.22015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 185.5
[M+Na]+ 371.20937 194.7
[M+NH4]+ 366.25397 192.7
[M+K]+ 387.18331 187.6
[M-H]- 347.21287 189.4
[M+Na-2H]- 369.19482 189.9
[M]+ 348.21960 187.8
[M]- 348.22070 187.8
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

patents stripe