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]+ 352.16558 183.7
[M+Na]+ 374.14752 190.9
[M-H]- 350.15102 189.8
[M+NH4]+ 369.19212 194.9
[M+K]+ 390.12146 187.0
[M+H-H2O]+ 334.15556 172.7
[M+HCOO]- 396.15650 204.4
[M+CH3COO]- 410.17215 219.6
[M+Na-2H]- 372.13297 188.3
[M]+ 351.15775 188.2
[M]- 351.15885 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.