CID 206229

43166-20-7

Structural Information

Molecular Formula
C24H29N3O7
SMILES
CCC(=O)N1C(=O)NC(=O)C12CCC3C4=C2C(=C(C=C4CCN3C)OC(=O)CC)OC(=O)CC
InChI
InChI=1S/C24H29N3O7/c1-5-16(28)27-23(32)25-22(31)24(27)10-8-14-19-13(9-11-26(14)4)12-15(33-17(29)6-2)21(20(19)24)34-18(30)7-3/h12,14H,5-11H2,1-4H3,(H,25,31,32)
InChIKey
DJFQGPIUHGHRQG-UHFFFAOYSA-N
Compound name
(1-methyl-2',4'-dioxo-1'-propanoyl-6-propanoyloxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.20056 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.20784 210.4
[M+Na]+ 494.18978 215.4
[M-H]- 470.19328 210.8
[M+NH4]+ 489.23438 219.8
[M+K]+ 510.16372 212.2
[M+H-H2O]+ 454.19782 202.4
[M+HCOO]- 516.19876 216.0
[M+CH3COO]- 530.21441 237.2
[M+Na-2H]- 492.17523 205.9
[M]+ 471.20001 212.5
[M]- 471.20111 212.5
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.