CID 104718

54289-46-2

Structural Information

Molecular Formula
C13H15N5O2S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C13H15N5O2S/c1-3-17(4-2)11-7-5-10(6-8-11)15-16-13-14-9-12(21-13)18(19)20/h5-9H,3-4H2,1-2H3
InChIKey
KARZQFDVRALNLN-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

305.09464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10192 165.6
[M+Na]+ 328.08386 176.3
[M+NH4]+ 323.12846 173.2
[M+K]+ 344.05780 172.5
[M-H]- 304.08736 172.2
[M+Na-2H]- 326.06931 173.5
[M]+ 305.09409 169.1
[M]- 305.09519 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe