CID 210209

21131-15-7

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CN(C)CCCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c1-22(2)13-8-14-26-20(25)18-16-11-6-7-12-17(16)19(24)23(21-18)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey
FWULGJMHOCZCMS-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 4-oxo-3-phenylphthalazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.7
[M+Na]+ 374.147518 190.9
[M-H]- 350.151024 189.8
[M+NH4]+ 369.192123 194.9
[M+K]+ 390.121458 187.0
[M+H-H2O]+ 334.155560 172.7
[M+HCOO]- 396.156501 204.4
[M+CH3COO]- 410.172151 219.6
[M+Na-2H]- 372.132966 188.3
[M]+ 351.15775142 188.2
[M]- 351.15884858 188.2
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.