CID 10861834

Schembl3909196

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-SDXDJHTJSA-N
Compound name
(NZ)-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

15
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 180.6
[M+Na]+ 403.07142 193.9
[M+NH4]+ 398.11602 187.2
[M+K]+ 419.04536 189.1
[M-H]- 379.07492 185.9
[M+Na-2H]- 401.05687 187.5
[M]+ 380.08165 184.3
[M]- 380.08275 184.3
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