CID 9948555

1,1-dimethylethyl 2-[(1s,2s)-1-ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxylate

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC(=O)OC(C)(C)C
InChI
InChI=1S/C17H28N2O3/c1-6-15(18-19-16(20)22-17(3,4)5)13(2)21-12-14-10-8-7-9-11-14/h7-11,13,15,18H,6,12H2,1-5H3,(H,19,20)/t13-,15-/m0/s1
InChIKey
IJLZRIHVBSTUSD-ZFWWWQNUSA-N
Compound name
tert-butyl N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.8
[M+Na]+ 331.19922 179.9
[M-H]- 307.20272 180.3
[M+NH4]+ 326.24382 191.8
[M+K]+ 347.17316 179.2
[M+H-H2O]+ 291.20726 170.3
[M+HCOO]- 353.20820 198.1
[M+CH3COO]- 367.22385 211.5
[M+Na-2H]- 329.18467 179.5
[M]+ 308.20945 180.0
[M]- 308.21055 180.0
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.