CID 4136970

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

Structural Information

Molecular Formula
C14H17Br2N3O
SMILES
CC1CCC(=NNC(=O)C2=C(C(=CC(=C2)Br)Br)N)CC1
InChI
InChI=1S/C14H17Br2N3O/c1-8-2-4-10(5-3-8)18-19-14(20)11-6-9(15)7-12(16)13(11)17/h6-8H,2-5,17H2,1H3,(H,19,20)
InChIKey
OXWKQMVITGSMOG-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromo-N-[(4-methylcyclohexylidene)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.97385 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.98113 170.0
[M+Na]+ 423.96307 176.6
[M-H]- 399.96657 178.3
[M+NH4]+ 419.00767 184.7
[M+K]+ 439.93701 159.8
[M+H-H2O]+ 383.97111 174.1
[M+HCOO]- 445.97205 184.7
[M+CH3COO]- 459.98770 225.0
[M+Na-2H]- 421.94852 171.9
[M]+ 400.97330 198.7
[M]- 400.97440 198.7
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.