CID 9587929

Brn 0846227

Structural Information

Molecular Formula
C12H14N6O3S
SMILES
CN1C(=CN=C1C2=NC(=CS2)/C=N/N3CCOCC3)[N+](=O)[O-]
InChI
InChI=1S/C12H14N6O3S/c1-16-10(18(19)20)7-13-11(16)12-15-9(8-22-12)6-14-17-2-4-21-5-3-17/h6-8H,2-5H2,1H3/b14-6+
InChIKey
HIJUEKIJWCEGEI-MKMNVTDBSA-N
Compound name
(E)-1-[2-(1-methyl-5-nitroimidazol-2-yl)-1,3-thiazol-4-yl]-N-morpholin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09208 169.7
[M+Na]+ 345.07402 177.2
[M-H]- 321.07752 177.7
[M+NH4]+ 340.11862 180.7
[M+K]+ 361.04796 170.8
[M+H-H2O]+ 305.08206 164.6
[M+HCOO]- 367.08300 187.8
[M+CH3COO]- 381.09865 200.6
[M+Na-2H]- 343.05947 172.9
[M]+ 322.08425 169.8
[M]- 322.08535 169.8
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

No patent data available for this compound.