CID 374213

Nsc651703

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4O2/c1-12-16(19(25)24(23(12)2)15-6-4-3-5-7-15)18-22-21-17(26-18)13-8-10-14(20)11-9-13/h3-11H,1-2H3
InChIKey
APWBWASUHPOENO-UHFFFAOYSA-N
Compound name
4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.08835 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09563 185.1
[M+Na]+ 389.07757 198.9
[M-H]- 365.08107 195.4
[M+NH4]+ 384.12217 195.3
[M+K]+ 405.05151 192.3
[M+H-H2O]+ 349.08561 174.2
[M+HCOO]- 411.08655 202.3
[M+CH3COO]- 425.10220 197.1
[M+Na-2H]- 387.06302 184.8
[M]+ 366.08780 192.6
[M]- 366.08890 192.6
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.