CID 3080423

Brn 4332740

Structural Information

Molecular Formula
C19H21BrN2O3
SMILES
CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)(C(=O)NNC(=O)C(C)Br)O
InChI
InChI=1S/C19H21BrN2O3/c1-12-6-4-8-15(10-12)19(25,16-9-5-7-13(2)11-16)18(24)22-21-17(23)14(3)20/h4-11,14,25H,1-3H3,(H,21,23)(H,22,24)
InChIKey
PRMDQSUXURFIHT-UHFFFAOYSA-N
Compound name
2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.07355 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08083 183.9
[M+Na]+ 427.06277 184.5
[M+NH4]+ 422.10737 186.0
[M+K]+ 443.03671 186.0
[M-H]- 403.06627 184.9
[M+Na-2H]- 425.04822 186.5
[M]+ 404.07300 182.9
[M]- 404.07410 182.9
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.