CID 105580

67763-16-0

Structural Information

Molecular Formula
C34H59NO3
SMILES
CCCCCCCCCCCCC1=CC(=O)N(C1=O)C(=O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C34H59NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32(36)35-33(37)30-31(34(35)38)28-26-24-22-20-14-12-10-8-6-4-2/h16-17,30H,3-15,18-29H2,1-2H3
InChIKey
XCVURMXOQZJOGJ-UHFFFAOYSA-N
Compound name
3-dodecyl-1-octadec-9-enoylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.4495 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.45678 246.0
[M+Na]+ 552.43872 245.1
[M-H]- 528.44222 244.0
[M+NH4]+ 547.48332 241.7
[M+K]+ 568.41266 237.0
[M+H-H2O]+ 512.44676 236.0
[M+HCOO]- 574.44770 255.1
[M+CH3COO]- 588.46335 253.8
[M+Na-2H]- 550.42417 234.9
[M]+ 529.44895 256.6
[M]- 529.45005 256.6
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.