CID 389692

Nsc686236

Structural Information

Molecular Formula
C30H25ClN4O2
SMILES
C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C30H25ClN4O2/c31-23-13-10-14-24(19-23)32-29(36)21-30(37)35-27(22-11-4-1-5-12-22)20-28(33-35)34(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-19,27H,20-21H2,(H,32,36)
InChIKey
AZGOVDPGVIHRHL-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1666 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.17388 222.2
[M+Na]+ 531.15582 225.4
[M-H]- 507.15932 235.3
[M+NH4]+ 526.20042 226.5
[M+K]+ 547.12976 218.0
[M+H-H2O]+ 491.16386 208.3
[M+HCOO]- 553.16480 237.7
[M+CH3COO]- 567.18045 228.6
[M+Na-2H]- 529.14127 221.0
[M]+ 508.16605 222.5
[M]- 508.16715 222.5
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.