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

88
Patents

348.22015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 185.3
[M+Na]+ 371.209368 188.1
[M-H]- 347.212874 191.3
[M+NH4]+ 366.253973 199.4
[M+K]+ 387.183308 187.6
[M+H-H2O]+ 331.217410 178.6
[M+HCOO]- 393.218351 204.4
[M+CH3COO]- 407.234001 222.9
[M+Na-2H]- 369.194816 187.6
[M]+ 348.21960142 182.1
[M]- 348.22069858 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