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 188.5
[M+Na]+ 427.06277 194.8
[M-H]- 403.06627 195.6
[M+NH4]+ 422.10737 201.4
[M+K]+ 443.03671 183.0
[M+H-H2O]+ 387.07081 185.7
[M+HCOO]- 449.07175 205.4
[M+CH3COO]- 463.08740 220.4
[M+Na-2H]- 425.04822 190.7
[M]+ 404.07300 205.3
[M]- 404.07410 205.3
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.