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]+ 387.96548 165.9
[M+Na]+ 409.94742 172.3
[M-H]- 385.95092 174.2
[M+NH4]+ 404.99202 180.9
[M+K]+ 425.92136 155.7
[M+H-H2O]+ 369.95546 170.2
[M+HCOO]- 431.95640 181.1
[M+CH3COO]- 445.97205 221.8
[M+Na-2H]- 407.93287 168.9
[M]+ 386.95765 194.2
[M]- 386.95875 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.