CID 132190

138932-35-1

Structural Information

Molecular Formula
C22H18BrN3O2
SMILES
C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)NC3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)
InChIKey
LMUQHXHWJWQXSD-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

5
Patents

435.05823 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06551 196.1
[M+Na]+ 458.04745 204.1
[M-H]- 434.05095 207.0
[M+NH4]+ 453.09205 206.9
[M+K]+ 474.02139 190.4
[M+H-H2O]+ 418.05549 192.3
[M+HCOO]- 480.05643 212.5
[M+CH3COO]- 494.07208 206.2
[M+Na-2H]- 456.03290 196.9
[M]+ 435.05768 210.2
[M]- 435.05878 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe