CID 3057186

Hl 2213

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCOC1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CCN(C)C
InChI
InChI=1S/C21H25N3O2/c1-4-26-17-11-9-16(10-12-17)15-20-18-7-5-6-8-19(18)21(25)24(22-20)14-13-23(2)3/h5-12H,4,13-15H2,1-3H3
InChIKey
IVVCGTQGCQUQJU-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-4-[(4-ethoxyphenyl)methyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 186.9
[M+Na]+ 374.18389 194.6
[M-H]- 350.18739 192.9
[M+NH4]+ 369.22849 198.6
[M+K]+ 390.15783 189.9
[M+H-H2O]+ 334.19193 175.7
[M+HCOO]- 396.19287 207.8
[M+CH3COO]- 410.20852 222.1
[M+Na-2H]- 372.16934 191.1
[M]+ 351.19412 192.1
[M]- 351.19522 192.1
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.