CID 170990661

Luquilloamide c

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CC(C)[C@H]1C=CC(=O)N1C(=O)/C=C(/C)\CCNC(=O)CCCCC(C)(C)C
InChI
InChI=1S/C22H36N2O3/c1-16(2)18-10-11-20(26)24(18)21(27)15-17(3)12-14-23-19(25)9-7-8-13-22(4,5)6/h10-11,15-16,18H,7-9,12-14H2,1-6H3,(H,23,25)/b17-15-/t18-/m1/s1
InChIKey
QXVCNMLAGPNUAM-RZPKCTKSSA-N
Compound name
6,6-dimethyl-N-[(Z)-3-methyl-5-oxo-5-[(2S)-5-oxo-2-propan-2-yl-2H-pyrrol-1-yl]pent-3-enyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 198.4
[M+Na]+ 399.261798 200.8
[M-H]- 375.265304 199.4
[M+NH4]+ 394.306403 210.9
[M+K]+ 415.235738 197.9
[M+H-H2O]+ 359.269840 191.4
[M+HCOO]- 421.270781 213.6
[M+CH3COO]- 435.286431 224.2
[M+Na-2H]- 397.247246 192.3
[M]+ 376.27203142 201.1
[M]- 376.27312858 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.