CID 3057178

Hl 2210

Structural Information

Molecular Formula
C19H20BrN3O
SMILES
CN(C)CCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20BrN3O/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3
InChIKey
XSAAAHMDTTVYOG-UHFFFAOYSA-N
Compound name
4-[(4-bromophenyl)methyl]-2-[2-(dimethylamino)ethyl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.07898 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.08626 182.7
[M+Na]+ 408.06820 193.8
[M-H]- 384.07170 191.2
[M+NH4]+ 403.11280 197.1
[M+K]+ 424.04214 181.2
[M+H-H2O]+ 368.07624 179.0
[M+HCOO]- 430.07718 201.7
[M+CH3COO]- 444.09283 221.7
[M+Na-2H]- 406.05365 188.8
[M]+ 385.07843 204.2
[M]- 385.07953 204.2
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.