CID 10981378

Ec 427-600-9

Structural Information

Molecular Formula
C14H15N5O3S2
SMILES
CN\1COCN(/C1=N\[N+](=O)[O-])CC2=CN=C(S2)SC3=CC=CC=C3
InChI
InChI=1S/C14H15N5O3S2/c1-17-9-22-10-18(13(17)16-19(20)21)8-12-7-15-14(24-12)23-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3/b16-13-
InChIKey
DPRKJAQMHKISEQ-SSZFMOIBSA-N
Compound name
(NZ)-N-[3-methyl-5-[(2-phenylsulfanyl-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

365.06165 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06893 177.9
[M+Na]+ 388.05087 183.8
[M-H]- 364.05437 185.3
[M+NH4]+ 383.09547 186.7
[M+K]+ 404.02481 175.1
[M+H-H2O]+ 348.05891 173.0
[M+HCOO]- 410.05985 189.2
[M+CH3COO]- 424.07550 208.0
[M+Na-2H]- 386.03632 180.5
[M]+ 365.06110 176.3
[M]- 365.06220 176.3
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