CID 3066386

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

Structural Information

Molecular Formula
C14H18N4S
SMILES
CCN(CC)CC1=NN=C2N1C3=CC=CC=C3SC2
InChI
InChI=1S/C14H18N4S/c1-3-17(4-2)9-13-15-16-14-10-19-12-8-6-5-7-11(12)18(13)14/h5-8H,3-4,9-10H2,1-2H3
InChIKey
AGWMDRLVFMHYTN-UHFFFAOYSA-N
Compound name
N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1252 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13248 161.3
[M+Na]+ 297.11442 170.2
[M-H]- 273.11792 164.0
[M+NH4]+ 292.15902 178.8
[M+K]+ 313.08836 166.2
[M+H-H2O]+ 257.12246 153.0
[M+HCOO]- 319.12340 176.0
[M+CH3COO]- 333.13905 172.6
[M+Na-2H]- 295.09987 165.0
[M]+ 274.12465 165.4
[M]- 274.12575 165.4
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.