CID 3320180

2-amino-3,5-dibromo-n'-(4-tert-butylcyclohexylidene)benzohydrazide

Structural Information

Molecular Formula
C17H23Br2N3O
SMILES
CC(C)(C)C1CCC(=NNC(=O)C2=C(C(=CC(=C2)Br)Br)N)CC1
InChI
InChI=1S/C17H23Br2N3O/c1-17(2,3)10-4-6-12(7-5-10)21-22-16(23)13-8-11(18)9-14(19)15(13)20/h8-10H,4-7,20H2,1-3H3,(H,22,23)
InChIKey
VATLMLNDTBVCDN-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromo-N-[(4-tert-butylcyclohexylidene)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.02078 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.02806 184.5
[M+Na]+ 466.01000 190.4
[M-H]- 442.01350 192.6
[M+NH4]+ 461.05460 198.0
[M+K]+ 481.98394 173.5
[M+H-H2O]+ 426.01804 188.5
[M+HCOO]- 488.01898 197.1
[M+CH3COO]- 502.03463 231.6
[M+Na-2H]- 463.99545 185.4
[M]+ 443.02023 213.4
[M]- 443.02133 213.4
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.