CID 45051251

853330-51-5

Structural Information

Molecular Formula
C23H25NO6
SMILES
CCOC(=O)C1=C(C(=C2N1C=CC3=CC=CC=C32)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C23H25NO6/c1-6-28-23(27)20-18(22(26)30-14(4)5)17(21(25)29-13(2)3)19-16-10-8-7-9-15(16)11-12-24(19)20/h7-14H,6H2,1-5H3
InChIKey
RTDMHXSVUHBFOE-UHFFFAOYSA-N
Compound name
3-O-ethyl 1-O,2-O-dipropan-2-yl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16818 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.175456 197.8
[M+Na]+ 434.157398 204.6
[M-H]- 410.160904 202.2
[M+NH4]+ 429.202003 210.8
[M+K]+ 450.131338 203.0
[M+H-H2O]+ 394.165440 190.3
[M+HCOO]- 456.166381 214.5
[M+CH3COO]- 470.182031 227.7
[M+Na-2H]- 432.142846 195.2
[M]+ 411.16763142 207.4
[M]- 411.16872858 207.4
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

No patent data available for this compound.