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

187
Patents

190.06213 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06941 139.8
[M+Na]+ 213.05135 146.7
[M-H]- 189.05485 137.4
[M+NH4]+ 208.09595 156.7
[M+K]+ 229.02529 142.7
[M+H-H2O]+ 173.05939 133.3
[M+HCOO]- 235.06033 154.9
[M+CH3COO]- 249.07598 180.2
[M+Na-2H]- 211.03680 141.2
[M]+ 190.06158 135.3
[M]- 190.06268 135.3
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