CID 3066387

4h-s-triazolo(3,4-c)(1,4)benzothiazine-1-methanamine, 8-chloro-n,n-diethyl-

Structural Information

Molecular Formula
C14H17ClN4S
SMILES
CCN(CC)CC1=NN=C2N1C3=C(C=CC(=C3)Cl)SC2
InChI
InChI=1S/C14H17ClN4S/c1-3-18(4-2)8-13-16-17-14-9-20-12-6-5-10(15)7-11(12)19(13)14/h5-7H,3-4,8-9H2,1-2H3
InChIKey
DIYACKMTPWDPIY-UHFFFAOYSA-N
Compound name
N-[(8-chloro-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09352 168.2
[M+Na]+ 331.07546 181.9
[M+NH4]+ 326.12006 177.6
[M+K]+ 347.04940 173.3
[M-H]- 307.07896 171.1
[M+Na-2H]- 329.06091 173.1
[M]+ 308.08569 171.8
[M]- 308.08679 171.8
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.