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]+ 377.27986 198.4
[M+Na]+ 399.26180 200.8
[M-H]- 375.26530 199.4
[M+NH4]+ 394.30640 210.9
[M+K]+ 415.23574 197.9
[M+H-H2O]+ 359.26984 191.4
[M+HCOO]- 421.27078 213.6
[M+CH3COO]- 435.28643 224.2
[M+Na-2H]- 397.24725 192.3
[M]+ 376.27203 201.1
[M]- 376.27313 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.