CID 6510103

Brn 4443369

Structural Information

Molecular Formula
C13H15N3S
SMILES
CN\1CCCC/C1=N/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H15N3S/c1-16-9-5-4-8-12(16)15-13-14-10-6-2-3-7-11(10)17-13/h2-3,6-7H,4-5,8-9H2,1H3/b15-12-
InChIKey
WLYFIYUJKLWRQY-QINSGFPZSA-N
Compound name
(Z)-N-(1,3-benzothiazol-2-yl)-1-methylpiperidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10594 152.8
[M+Na]+ 268.08788 161.9
[M-H]- 244.09138 159.2
[M+NH4]+ 263.13248 171.6
[M+K]+ 284.06182 157.3
[M+H-H2O]+ 228.09592 144.7
[M+HCOO]- 290.09686 170.6
[M+CH3COO]- 304.11251 165.3
[M+Na-2H]- 266.07333 156.3
[M]+ 245.09811 153.0
[M]- 245.09921 153.0
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

No patent data available for this compound.