CID 2068709

1-phthalazineacetamide, 3,4-dihydro-n-(3-(1h-hexahydroazepin-1-yl)propyl)-4-oxo-, hydrochloride

Structural Information

Molecular Formula
C19H26N4O2
SMILES
C1CCCN(CC1)CCCNC(=O)CC2=NNC(=O)C3=CC=CC=C32
InChI
InChI=1S/C19H26N4O2/c24-18(20-10-7-13-23-11-5-1-2-6-12-23)14-17-15-8-3-4-9-16(15)19(25)22-21-17/h3-4,8-9H,1-2,5-7,10-14H2,(H,20,24)(H,22,25)
InChIKey
SFBDRMGGVIDOSY-UHFFFAOYSA-N
Compound name
N-[3-(azepan-1-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.20557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21285 182.9
[M+Na]+ 365.19479 191.8
[M+NH4]+ 360.23939 187.8
[M+K]+ 381.16873 186.5
[M-H]- 341.19829 184.5
[M+Na-2H]- 363.18024 187.3
[M]+ 342.20502 184.3
[M]- 342.20612 184.3
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.