CID 65911

Giracodazole

Structural Information

Molecular Formula

C₆H₁₁ClN₄O

SMILES

C1=C(NC(=N1)N)[C@@H]([C@H](CN)Cl)O

InChI

InChI=1S/C6H11ClN4O/c7-3(1-8)5(12)4-2-10-6(9)11-4/h2-3,5,12H,1,8H2,(H3,9,10,11)/t3-,5+/m0/s1

InChIKey

YILCGOCHVFQMTC-WVZVXSGGSA-N

Compound name

(1S,2S)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 164
Patents: 190.06213 Da
Monoisotopic Mass: -1.4
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]+	191.06941	137.9
[M+Na]+	213.05135	145.6
[M+NH4]+	208.09595	143.8
[M+K]+	229.02529	144.5
[M-H]-	189.05485	136.8
[M+Na-2H]-	211.03680	140.5
[M]+	190.06158	138.3
[M]-	190.06268	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe