CID 4692013

Boc-his-nhnh

Structural Information

Molecular Formula

C₁₁H₁₉N₅O₃

SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)NN

InChI

InChI=1S/C11H19N5O3/c1-11(2,3)19-10(18)15-8(9(17)16-12)4-7-5-13-6-14-7/h5-6,8H,4,12H2,1-3H3,(H,13,14)(H,15,18)(H,16,17)

InChIKey

IIAZPXGGUWPKRC-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.1488 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.156076	162.5
[M+Na]+	292.138018	165.9
[M-H]-	268.141524	161.7
[M+NH4]+	287.182623	175.8
[M+K]+	308.111958	165.1
[M+H-H2O]+	252.146060	154.4
[M+HCOO]-	314.147001	182.1
[M+CH3COO]-	328.162651	199.8
[M+Na-2H]-	290.123466	164.8
[M]+	269.14825142	159.7
[M]-	269.14934858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.