CID 6410675

139108-64-8

Structural Information

Molecular Formula
C20H24Cl2N6O2
SMILES
CCCC1C(C(=O)N1NC2=NN=C(C3=CC=CC=C32)NN4C(C(C4=O)Cl)CCC)Cl
InChI
InChI=1S/C20H24Cl2N6O2/c1-3-7-13-15(21)19(29)27(13)25-17-11-9-5-6-10-12(11)18(24-23-17)26-28-14(8-4-2)16(22)20(28)30/h5-6,9-10,13-16H,3-4,7-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
GAERCAJVDFQFIP-UHFFFAOYSA-N
Compound name
3-chloro-1-[[4-[(3-chloro-2-oxo-4-propylazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-propylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1338 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14108 197.2
[M+Na]+ 473.12302 203.5
[M-H]- 449.12652 199.7
[M+NH4]+ 468.16762 191.5
[M+K]+ 489.09696 202.4
[M+H-H2O]+ 433.13106 176.4
[M+HCOO]- 495.13200 201.6
[M+CH3COO]- 509.14765 243.9
[M+Na-2H]- 471.10847 195.5
[M]+ 450.13325 216.5
[M]- 450.13435 216.5
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.