CID 45051144

1,2-diethyl 3-methyl pyrrolo(2,1-a)phthalazine-1,2,3-tricarboxylate

Structural Information

Molecular Formula
C19H18N2O6
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OCC)C(=O)OC
InChI
InChI=1S/C19H18N2O6/c1-4-26-17(22)13-14(18(23)27-5-2)16(19(24)25-3)21-15(13)12-9-7-6-8-11(12)10-20-21/h6-10H,4-5H2,1-3H3
InChIKey
LSVZCELGNKTEGY-UHFFFAOYSA-N
Compound name
1-O,2-O-diethyl 3-O-methyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1165 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 184.3
[M+Na]+ 393.10572 193.5
[M-H]- 369.10922 187.9
[M+NH4]+ 388.15032 197.7
[M+K]+ 409.07966 191.3
[M+H-H2O]+ 353.11376 176.1
[M+HCOO]- 415.11470 203.1
[M+CH3COO]- 429.13035 216.9
[M+Na-2H]- 391.09117 185.9
[M]+ 370.11595 194.2
[M]- 370.11705 194.2
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.