CID 3739392

618443-27-9

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCC1=CC(=C2N1N=CC3=CC=CC=C32)C(=O)OC(C)C
InChI
InChI=1S/C17H18N2O2/c1-4-13-9-15(17(20)21-11(2)3)16-14-8-6-5-7-12(14)10-18-19(13)16/h5-11H,4H2,1-3H3
InChIKey
VHKWEZVEHXHLQZ-UHFFFAOYSA-N
Compound name
propan-2-yl 3-ethylpyrrolo[2,1-a]phthalazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 165.3
[M+Na]+ 305.12606 179.5
[M+NH4]+ 300.17066 173.2
[M+K]+ 321.10000 174.3
[M-H]- 281.12956 166.9
[M+Na-2H]- 303.11151 170.5
[M]+ 282.13629 167.8
[M]- 282.13739 167.8
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.