CID 448288

N'-(2s,3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC1=CC=C(C=C1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O
InChI
InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)19-20-17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,19,21H,2-6,11,18H2,1H3,(H,20,22)/t15-,16+/m1/s1
InChIKey
IQMLIGOOOFEBAH-CVEARBPZSA-N
Compound name
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

305.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 173.9
[M+Na]+ 328.199548 173.4
[M-H]- 304.203054 176.9
[M+NH4]+ 323.244153 185.9
[M+K]+ 344.173488 170.6
[M+H-H2O]+ 288.207590 165.5
[M+HCOO]- 350.208531 191.4
[M+CH3COO]- 364.224181 210.9
[M+Na-2H]- 326.184996 172.9
[M]+ 305.20978142 165.4
[M]- 305.21087858 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe