CID 3075080

171261-29-3

Structural Information

Molecular Formula
C22H34N2O4
SMILES
CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H34N2O4/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/h11-12,16-18H,6-10,13-14H2,1-5H3
InChIKey
UOCBXPLPHJNAKG-UHFFFAOYSA-N
Compound name
N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.25186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.259136 197.6
[M+Na]+ 413.241078 201.3
[M-H]- 389.244584 202.5
[M+NH4]+ 408.285683 211.6
[M+K]+ 429.215018 199.5
[M+H-H2O]+ 373.249120 189.2
[M+HCOO]- 435.250061 213.7
[M+CH3COO]- 449.265711 230.4
[M+Na-2H]- 411.226526 194.4
[M]+ 390.25131142 202.4
[M]- 390.25240858 202.4
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.