CID 45051156

Dimethyl 3-methyl-6-phenylpyrrolo(2,1-a)phthalazine-1,2-dicarboxylate

Structural Information

Molecular Formula
C22H18N2O4
SMILES
CC1=C(C(=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C22H18N2O4/c1-13-17(21(25)27-2)18(22(26)28-3)20-16-12-8-7-11-15(16)19(23-24(13)20)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKey
QJKGIFFFBYGZOD-UHFFFAOYSA-N
Compound name
dimethyl 3-methyl-6-phenylpyrrolo[2,1-a]phthalazine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 188.1
[M+Na]+ 397.11587 204.0
[M+NH4]+ 392.16047 194.9
[M+K]+ 413.08981 198.5
[M-H]- 373.11937 191.5
[M+Na-2H]- 395.10132 194.7
[M]+ 374.12610 191.4
[M]- 374.12720 191.4
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.