CID 45051153

3-ethyl 1,2-diisopropyl pyrrolo(2,1-a)phthalazine-1,2,3-tricarboxylate

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CCOC(=O)C1=C(C(=C2N1N=CC3=CC=CC=C32)C(=O)OC(C)C)C(=O)OC(C)C
InChI
InChI=1S/C22H24N2O6/c1-6-28-22(27)19-17(21(26)30-13(4)5)16(20(25)29-12(2)3)18-15-10-8-7-9-14(15)11-23-24(18)19/h7-13H,6H2,1-5H3
InChIKey
OKLKVYHVSOSXOK-UHFFFAOYSA-N
Compound name
3-O-ethyl 1-O,2-O-dipropan-2-yl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16342 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 194.8
[M+Na]+ 435.15264 205.3
[M+NH4]+ 430.19724 198.6
[M+K]+ 451.12658 203.9
[M-H]- 411.15614 193.3
[M+Na-2H]- 433.13809 195.8
[M]+ 412.16287 195.5
[M]- 412.16397 195.5
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.