CID 15587409

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

Structural Information

Molecular Formula
C22H30FN3O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=C(C=C2)F
InChI
InChI=1S/C22H30FN3O/c1-3-5-16-22(17-6-4-2,24-19-14-12-18(23)13-15-19)21(27)26-25-20-10-8-7-9-11-20/h7-15,24-25H,3-6,16-17H2,1-2H3,(H,26,27)
InChIKey
IDGYKCYZXHYMEC-UHFFFAOYSA-N
Compound name
2-butyl-2-(4-fluoroanilino)-N'-phenylhexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2373 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.24458 191.6
[M+Na]+ 394.22652 193.4
[M-H]- 370.23002 195.4
[M+NH4]+ 389.27112 202.4
[M+K]+ 410.20046 188.2
[M+H-H2O]+ 354.23456 181.2
[M+HCOO]- 416.23550 213.0
[M+CH3COO]- 430.25115 226.6
[M+Na-2H]- 392.21197 194.9
[M]+ 371.23675 190.1
[M]- 371.23785 190.1
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.