CID 6437838

Piericidin a

Structural Information

Molecular Formula
C25H37NO4
SMILES
C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O
InChI
InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1
InChIKey
BBLGCDSLCDDALX-LKGBESRRSA-N
Compound name
2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

73
References

620
Patents

415.27225 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.27953 204.0
[M+Na]+ 438.26147 207.6
[M-H]- 414.26497 202.5
[M+NH4]+ 433.30607 212.3
[M+K]+ 454.23541 202.3
[M+H-H2O]+ 398.26951 196.7
[M+HCOO]- 460.27045 215.8
[M+CH3COO]- 474.28610 227.7
[M+Na-2H]- 436.24692 194.6
[M]+ 415.27170 206.9
[M]- 415.27280 206.9
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.