CID 3075976

129477-61-8

Structural Information

Molecular Formula
C31H43N3O9
SMILES
CCCCCCNC(=O)C1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C31H43N3O9/c1-8-9-10-11-12-32-29(35)22-19-33(30(36)20-15-23(38-2)27(42-6)24(16-20)39-3)13-14-34(22)31(37)21-17-25(40-4)28(43-7)26(18-21)41-5/h15-18,22H,8-14,19H2,1-7H3,(H,32,35)
InChIKey
KBZPPZIZWGKYKE-UHFFFAOYSA-N
Compound name
N-hexyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.2999 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.30718 244.9
[M+Na]+ 624.28912 253.1
[M+NH4]+ 619.33372 244.9
[M+K]+ 640.26306 249.7
[M-H]- 600.29262 246.0
[M+Na-2H]- 622.27457 245.7
[M]+ 601.29935 245.7
[M]- 601.30045 245.7
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.