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 168.5
[M+Na]+ 331.07546 178.7
[M-H]- 307.07896 171.3
[M+NH4]+ 326.12006 185.6
[M+K]+ 347.04940 173.4
[M+H-H2O]+ 291.08350 160.8
[M+HCOO]- 353.08444 178.4
[M+CH3COO]- 367.10009 179.6
[M+Na-2H]- 329.06091 170.9
[M]+ 308.08569 174.7
[M]- 308.08679 174.7
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.