CID 447957

Hms2776a10

Structural Information

Molecular Formula
C10H11N5OS
SMILES
CC1=C(SC(=N1)C)C2=NC(=NC=C2)N=CNO
InChI
InChI=1S/C10H11N5OS/c1-6-9(17-7(2)14-6)8-3-4-11-10(15-8)12-5-13-16/h3-5,16H,1-2H3,(H,11,12,13,15)
InChIKey
OVKZTPFHUYGZBI-UHFFFAOYSA-N
Compound name
N'-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N-hydroxymethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

249.06844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07572 153.0
[M+Na]+ 272.05766 163.4
[M-H]- 248.06116 157.2
[M+NH4]+ 267.10226 168.6
[M+K]+ 288.03160 158.7
[M+H-H2O]+ 232.06570 144.6
[M+HCOO]- 294.06664 173.0
[M+CH3COO]- 308.08229 195.7
[M+Na-2H]- 270.04311 156.5
[M]+ 249.06789 155.7
[M]- 249.06899 155.7
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