CID 3075273

Hexanoic acid, 2-butyl-2-(diethylamino)-, 2-(4-bromophenyl)hydrazide

Structural Information

Molecular Formula
C20H34BrN3O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=C(C=C1)Br)N(CC)CC
InChI
InChI=1S/C20H34BrN3O/c1-5-9-15-20(16-10-6-2,24(7-3)8-4)19(25)23-22-18-13-11-17(21)12-14-18/h11-14,22H,5-10,15-16H2,1-4H3,(H,23,25)
InChIKey
QXYDJGIVPSIXOZ-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-2-butyl-2-(diethylamino)hexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.18854 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19582 198.1
[M+Na]+ 434.17776 202.5
[M-H]- 410.18126 203.4
[M+NH4]+ 429.22236 212.0
[M+K]+ 450.15170 190.3
[M+H-H2O]+ 394.18580 193.9
[M+HCOO]- 456.18674 217.3
[M+CH3COO]- 470.20239 232.4
[M+Na-2H]- 432.16321 199.9
[M]+ 411.18799 218.5
[M]- 411.18909 218.5
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.