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]+ 343.212846 182.2
[M+Na]+ 365.194788 185.0
[M-H]- 341.198294 184.3
[M+NH4]+ 360.239393 190.4
[M+K]+ 381.168728 183.8
[M+H-H2O]+ 325.202830 171.1
[M+HCOO]- 387.203771 195.4
[M+CH3COO]- 401.219421 189.0
[M+Na-2H]- 363.180236 185.1
[M]+ 342.20502142 175.3
[M]- 342.20611858 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.