CID 213274

25947-19-7

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CCN(CC)CCNC(=O)CC1=NNC(=O)C2=CC=CC=C21
InChI
InChI=1S/C16H22N4O2/c1-3-20(4-2)10-9-17-15(21)11-14-12-7-5-6-8-13(12)16(22)19-18-14/h5-8H,3-4,9-11H2,1-2H3,(H,17,21)(H,19,22)
InChIKey
UMVKIIXMAWNMOO-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 171.7
[M+Na]+ 325.16352 177.4
[M-H]- 301.16702 173.0
[M+NH4]+ 320.20812 184.4
[M+K]+ 341.13746 173.6
[M+H-H2O]+ 285.17156 162.4
[M+HCOO]- 347.17250 192.0
[M+CH3COO]- 361.18815 211.1
[M+Na-2H]- 323.14897 176.7
[M]+ 302.17375 173.3
[M]- 302.17485 173.3
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.