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]+ 303.181576 171.7
[M+Na]+ 325.163518 177.4
[M-H]- 301.167024 173.0
[M+NH4]+ 320.208123 184.4
[M+K]+ 341.137458 173.6
[M+H-H2O]+ 285.171560 162.4
[M+HCOO]- 347.172501 192.0
[M+CH3COO]- 361.188151 211.1
[M+Na-2H]- 323.148966 176.7
[M]+ 302.17375142 173.3
[M]- 302.17484858 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.