CID 10786236

Triethyl pyrrolo(2,1-a)phthalazine-1,2,3-tricarboxylate

Structural Information

Molecular Formula
C20H20N2O6
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C20H20N2O6/c1-4-26-18(23)14-15(19(24)27-5-2)17(20(25)28-6-3)22-16(14)13-10-8-7-9-12(13)11-21-22/h7-11H,4-6H2,1-3H3
InChIKey
YJDNKEXYPRKVBE-UHFFFAOYSA-N
Compound name
triethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13214 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13942 189.0
[M+Na]+ 407.12136 197.7
[M-H]- 383.12486 192.4
[M+NH4]+ 402.16596 201.8
[M+K]+ 423.09530 195.3
[M+H-H2O]+ 367.12940 180.6
[M+HCOO]- 429.13034 207.5
[M+CH3COO]- 443.14599 219.8
[M+Na-2H]- 405.10681 190.1
[M]+ 384.13159 199.2
[M]- 384.13269 199.2
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.