CID 75176102

N'-[(1e)-(4-amino-6-chloropyrimidin-5-yl)methylidene](tert-butoxy)carbohydrazide

Structural Information

Molecular Formula

C₁₀H₁₄ClN₅O₂

SMILES

CC(C)(C)OC(=O)N/N=C/C1=C(N=CN=C1Cl)N

InChI

InChI=1S/C10H14ClN5O2/c1-10(2,3)18-9(17)16-15-4-6-7(11)13-5-14-8(6)12/h4-5H,1-3H3,(H,16,17)(H2,12,13,14)/b15-4+

InChIKey

IQYKZYJEZUFSMT-SYZQJQIISA-N

Compound name

tert-butyl N-[(E)-(4-amino-6-chloropyrimidin-5-yl)methylideneamino]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0836 Da
Monoisotopic Mass: 1.5
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]+	272.090876	161.7
[M+Na]+	294.072818	170.0
[M-H]-	270.076324	164.2
[M+NH4]+	289.117423	176.3
[M+K]+	310.046758	167.0
[M+H-H2O]+	254.080860	154.3
[M+HCOO]-	316.081801	181.0
[M+CH3COO]-	330.097451	203.7
[M+Na-2H]-	292.058266	167.6
[M]+	271.08305142	164.3
[M]-	271.08414858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.