CID 6410676

Dtxsid40930352

Structural Information

Molecular Formula
C26H36Cl2N6O2
SMILES
CCCCCCC1C(C(=O)N1NC2=NN=C(C3=CC=CC=C32)NN4C(C(C4=O)Cl)CCCCCC)Cl
InChI
InChI=1S/C26H36Cl2N6O2/c1-3-5-7-9-15-19-21(27)25(35)33(19)31-23-17-13-11-12-14-18(17)24(30-29-23)32-34-20(22(28)26(34)36)16-10-8-6-4-2/h11-14,19-22H,3-10,15-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
PDSVLHLYVYBGLA-UHFFFAOYSA-N
Compound name
3-chloro-1-[[4-[(3-chloro-2-hexyl-4-oxoazetidin-1-yl)amino]phthalazin-1-yl]amino]-4-hexylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.22766 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.23494 221.3
[M+Na]+ 557.21688 225.0
[M-H]- 533.22038 222.7
[M+NH4]+ 552.26148 212.5
[M+K]+ 573.19082 223.0
[M+H-H2O]+ 517.22492 199.3
[M+HCOO]- 579.22586 223.8
[M+CH3COO]- 593.24151 258.6
[M+Na-2H]- 555.20233 216.9
[M]+ 534.22711 242.1
[M]- 534.22821 242.1
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.