CID 652170

171261-21-5

Structural Information

Molecular Formula
C22H32N2O4
SMILES
CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H32N2O4/c1-6-7-10-24(18-13-16-8-9-17(14-18)23(16)2)22(25)15-11-19(26-3)21(28-5)20(12-15)27-4/h11-13,16-17H,6-10,14H2,1-5H3
InChIKey
LZYMPGNBBKVSQZ-UHFFFAOYSA-N
Compound name
N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

388.2362 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24348 196.6
[M+Na]+ 411.22542 201.3
[M-H]- 387.22892 202.0
[M+NH4]+ 406.27002 210.8
[M+K]+ 427.19936 199.4
[M+H-H2O]+ 371.23346 188.1
[M+HCOO]- 433.23440 214.2
[M+CH3COO]- 447.25005 230.0
[M+Na-2H]- 409.21087 194.4
[M]+ 388.23565 202.9
[M]- 388.23675 202.9
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.