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 182.2
[M+Na]+ 365.19479 185.0
[M-H]- 341.19829 184.3
[M+NH4]+ 360.23939 190.4
[M+K]+ 381.16873 183.8
[M+H-H2O]+ 325.20283 171.1
[M+HCOO]- 387.20377 195.4
[M+CH3COO]- 401.21942 189.0
[M+Na-2H]- 363.18024 185.1
[M]+ 342.20502 175.3
[M]- 342.20612 175.3
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.