CID 375114

Nsc654237

Structural Information

Molecular Formula
C26H37NO5
SMILES
CCN(CC)C(=O)C1=C(C=CC(=C1)OC(C)C)C2=C(C(=C(C=C2C)OC(C)C)OC)OC
InChI
InChI=1S/C26H37NO5/c1-10-27(11-2)26(28)21-15-19(31-16(3)4)12-13-20(21)23-18(7)14-22(32-17(5)6)24(29-8)25(23)30-9/h12-17H,10-11H2,1-9H3
InChIKey
AUDTWBLYCSHTIM-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxy-6-methyl-4-propan-2-yloxyphenyl)-N,N-diethyl-5-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.26718 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.27446 210.5
[M+Na]+ 466.25640 215.4
[M-H]- 442.25990 218.4
[M+NH4]+ 461.30100 220.6
[M+K]+ 482.23034 215.1
[M+H-H2O]+ 426.26444 201.1
[M+HCOO]- 488.26538 230.3
[M+CH3COO]- 502.28103 244.6
[M+Na-2H]- 464.24185 204.5
[M]+ 443.26663 221.2
[M]- 443.26773 221.2
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.