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]+ 367.095626 185.1
[M+Na]+ 389.077568 198.9
[M-H]- 365.081074 195.4
[M+NH4]+ 384.122173 195.3
[M+K]+ 405.051508 192.3
[M+H-H2O]+ 349.085610 174.2
[M+HCOO]- 411.086551 202.3
[M+CH3COO]- 425.102201 197.1
[M+Na-2H]- 387.063016 184.8
[M]+ 366.08780142 192.6
[M]- 366.08889858 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.