CID 9587926

Brn 0836013

Structural Information

Molecular Formula
C12H13N5O2S2
SMILES
C1CCN(CC1)/N=C/C2=CSC(=N2)C3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H13N5O2S2/c18-17(19)10-7-13-11(21-10)12-15-9(8-20-12)6-14-16-4-2-1-3-5-16/h6-8H,1-5H2/b14-6+
InChIKey
QUZTXHBBHOTJJX-MKMNVTDBSA-N
Compound name
(E)-1-[2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.05106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05834 168.1
[M+Na]+ 346.04028 175.6
[M-H]- 322.04378 176.1
[M+NH4]+ 341.08488 182.0
[M+K]+ 362.01422 166.9
[M+H-H2O]+ 306.04832 164.2
[M+HCOO]- 368.04926 183.0
[M+CH3COO]- 382.06491 198.8
[M+Na-2H]- 344.02573 169.8
[M]+ 323.05051 166.5
[M]- 323.05161 166.5
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.