CID 3506924

2-butyl-n-(4-hydroxyphenyl)norleucine 2-phenylhydrazide

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=C(C=C2)O
InChI
InChI=1S/C22H31N3O2/c1-3-5-16-22(17-6-4-2,23-18-12-14-20(26)15-13-18)21(27)25-24-19-10-8-7-9-11-19/h7-15,23-24,26H,3-6,16-17H2,1-2H3,(H,25,27)
InChIKey
XVGINVMOUQEEHR-UHFFFAOYSA-N
Compound name
2-butyl-2-(4-hydroxyanilino)-N'-phenylhexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 191.2
[M+Na]+ 392.23086 192.3
[M-H]- 368.23436 195.0
[M+NH4]+ 387.27546 201.3
[M+K]+ 408.20480 187.6
[M+H-H2O]+ 352.23890 181.9
[M+HCOO]- 414.23984 212.4
[M+CH3COO]- 428.25549 223.8
[M+Na-2H]- 390.21631 194.9
[M]+ 369.24109 190.3
[M]- 369.24219 190.3
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.