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
2
Annotation Hits

0
References

23
Patents

380.0822 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.089476 186.1
[M+Na]+ 403.071418 192.2
[M-H]- 379.074924 191.7
[M+NH4]+ 398.116023 194.8
[M+K]+ 419.045358 182.1
[M+H-H2O]+ 363.079460 179.9
[M+HCOO]- 425.080401 196.5
[M+CH3COO]- 439.096051 211.9
[M+Na-2H]- 401.056866 187.6
[M]+ 380.08165142 185.2
[M]- 380.08274858 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