CID 370463

Nsc643594

Structural Information

Molecular Formula
C30H21Cl2N5O2
SMILES
C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5Cl
InChI
InChI=1S/C30H21Cl2N5O2/c31-22-15-17-23(18-16-22)33-26(38)19-27(39)37-30(21-11-5-2-6-12-21)29(28(36-37)20-9-3-1-4-10-20)35-34-25-14-8-7-13-24(25)32/h1-18H,19H2,(H,33,38)
InChIKey
DCVHXMKMOTUFLH-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-[4-[(2-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.10724 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.11452 233.9
[M+Na]+ 576.09646 240.4
[M-H]- 552.09996 248.2
[M+NH4]+ 571.14106 237.9
[M+K]+ 592.07040 232.0
[M+H-H2O]+ 536.10450 219.6
[M+HCOO]- 598.10544 249.0
[M+CH3COO]- 612.12109 240.7
[M+Na-2H]- 574.08191 233.3
[M]+ 553.10669 239.3
[M]- 553.10779 239.3
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.