CID 5081429

2-amino-3,5-dibromo-n'-cyclohexylidenebenzohydrazide

Structural Information

Molecular Formula
C13H15Br2N3O
SMILES
C1CCC(=NNC(=O)C2=C(C(=CC(=C2)Br)Br)N)CC1
InChI
InChI=1S/C13H15Br2N3O/c14-8-6-10(12(16)11(15)7-8)13(19)18-17-9-4-2-1-3-5-9/h6-7H,1-5,16H2,(H,18,19)
InChIKey
DDEISDWLGLEAMT-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromo-N-(cyclohexylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.9582 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.965476 165.9
[M+Na]+ 409.947418 172.3
[M-H]- 385.950924 174.2
[M+NH4]+ 404.992023 180.9
[M+K]+ 425.921358 155.7
[M+H-H2O]+ 369.955460 170.2
[M+HCOO]- 431.956401 181.1
[M+CH3COO]- 445.972051 221.8
[M+Na-2H]- 407.932866 168.9
[M]+ 386.95765142 194.2
[M]- 386.95874858 194.2
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.