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]+ 391.25914 197.6
[M+Na]+ 413.24108 201.3
[M-H]- 389.24458 202.5
[M+NH4]+ 408.28568 211.6
[M+K]+ 429.21502 199.5
[M+H-H2O]+ 373.24912 189.2
[M+HCOO]- 435.25006 213.7
[M+CH3COO]- 449.26571 230.4
[M+Na-2H]- 411.22653 194.4
[M]+ 390.25131 202.4
[M]- 390.25241 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.