CID 70419006

76843-26-0

Structural Information

Molecular Formula
C22H39NO4
SMILES
CCCCCCCC/C=C\CCCCCCCCN1C(=O)C(C(C1=O)O)O
InChI
InChI=1S/C22H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(26)19(24)20(25)22(23)27/h9-10,19-20,24-25H,2-8,11-18H2,1H3/b10-9-
InChIKey
VLLVJEJOCBHGQV-KTKRTIGZSA-N
Compound name
3,4-dihydroxy-1-[(Z)-octadec-9-enyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

381.2879 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.29518 199.1
[M+Na]+ 404.27712 202.1
[M-H]- 380.28062 196.6
[M+NH4]+ 399.32172 210.6
[M+K]+ 420.25106 196.2
[M+H-H2O]+ 364.28516 191.7
[M+HCOO]- 426.28610 214.1
[M+CH3COO]- 440.30175 218.4
[M+Na-2H]- 402.26257 193.0
[M]+ 381.28735 203.4
[M]- 381.28845 203.4
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

patents stripe