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 185.3
[M+Na]+ 371.20937 188.1
[M-H]- 347.21287 191.3
[M+NH4]+ 366.25397 199.4
[M+K]+ 387.18331 187.6
[M+H-H2O]+ 331.21741 178.6
[M+HCOO]- 393.21835 204.4
[M+CH3COO]- 407.23400 222.9
[M+Na-2H]- 369.19482 187.6
[M]+ 348.21960 182.1
[M]- 348.22070 182.1
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

patents stripe