CID 3088649

Sr 44273 a

Structural Information

Molecular Formula
C17H21N3OS
SMILES
C1CC2=C(C3=CC=CC=C31)N=C(S2)NCCN4CCOCC4
InChI
InChI=1S/C17H21N3OS/c1-2-4-14-13(3-1)5-6-15-16(14)19-17(22-15)18-7-8-20-9-11-21-12-10-20/h1-4H,5-12H2,(H,18,19)
InChIKey
DZDNKJLZVODMFN-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.14053 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.147806 168.2
[M+Na]+ 338.129748 174.0
[M-H]- 314.133254 173.3
[M+NH4]+ 333.174353 182.6
[M+K]+ 354.103688 169.7
[M+H-H2O]+ 298.137790 159.8
[M+HCOO]- 360.138731 179.5
[M+CH3COO]- 374.154381 177.8
[M+Na-2H]- 336.115196 171.4
[M]+ 315.13998142 166.8
[M]- 315.14107858 166.8
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

patents stripe