CID 10927021

Dtxsid801036157

Structural Information

Molecular Formula
C15H17ClN6O2S
SMILES
CN\1CN(CN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C15H17ClN6O2S/c1-19-10-20(8-12-5-3-2-4-6-12)11-21(15(19)18-22(23)24)9-13-7-17-14(16)25-13/h2-7H,8-11H2,1H3/b18-15+
InChIKey
OSEYSJXIROSHNU-OBGWFSINSA-N
Compound name
(NE)-N-[5-benzyl-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1,3,5-triazinan-2-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.0822 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08948 186.1
[M+Na]+ 403.07142 192.2
[M-H]- 379.07492 191.7
[M+NH4]+ 398.11602 194.8
[M+K]+ 419.04536 182.1
[M+H-H2O]+ 363.07946 179.9
[M+HCOO]- 425.08040 196.5
[M+CH3COO]- 439.09605 211.9
[M+Na-2H]- 401.05687 187.6
[M]+ 380.08165 185.2
[M]- 380.08275 185.2
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