CID 171990286

Hennamide dimer

Structural Information

Molecular Formula
C26H42N2O6
SMILES
CC(C)CC1C(CC(=O)N1C(=O)C(C(C)C)O)C2(C=CC(=O)N2C(=O)C(C(C)C)O)CC(C)C
InChI
InChI=1S/C26H42N2O6/c1-14(2)11-19-18(12-21(30)27(19)24(33)22(31)16(5)6)26(13-15(3)4)10-9-20(29)28(26)25(34)23(32)17(7)8/h9-10,14-19,22-23,31-32H,11-13H2,1-8H3
InChIKey
GBYBZVYSIDZBMU-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-3-methylbutanoyl)-5-[1-(2-hydroxy-3-methylbutanoyl)-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.3043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.31158 211.9
[M+Na]+ 501.29352 213.0
[M-H]- 477.29702 213.0
[M+NH4]+ 496.33812 221.3
[M+K]+ 517.26746 212.6
[M+H-H2O]+ 461.30156 208.0
[M+HCOO]- 523.30250 218.3
[M+CH3COO]- 537.31815 239.9
[M+Na-2H]- 499.27897 197.1
[M]+ 478.30375 213.5
[M]- 478.30485 213.5
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.