CID 44149593

10-((4-aminobutyryl)amino)cannabidiol

Structural Information

Molecular Formula
C25H38N2O3
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)CNC(=O)CCCN)C)O
InChI
InChI=1S/C25H38N2O3/c1-4-5-6-8-19-14-22(28)25(23(29)15-19)21-13-17(2)10-11-20(21)18(3)16-27-24(30)9-7-12-26/h13-15,20-21,28-29H,3-12,16,26H2,1-2H3,(H,27,30)/t20-,21+/m0/s1
InChIKey
AZPOCXKAZCSBIY-LEWJYISDSA-N
Compound name
4-amino-N-[2-[(1R,2R)-2-(2,6-dihydroxy-4-pentylphenyl)-4-methylcyclohex-3-en-1-yl]prop-2-enyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.28824 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.29552 207.6
[M+Na]+ 437.27746 209.0
[M-H]- 413.28096 209.5
[M+NH4]+ 432.32206 216.0
[M+K]+ 453.25140 203.2
[M+H-H2O]+ 397.28550 198.9
[M+HCOO]- 459.28644 222.5
[M+CH3COO]- 473.30209 232.6
[M+Na-2H]- 435.26291 200.8
[M]+ 414.28769 205.0
[M]- 414.28879 205.0
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.