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

2
Patents

315.14053 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14781 168.2
[M+Na]+ 338.12975 174.0
[M-H]- 314.13325 173.3
[M+NH4]+ 333.17435 182.6
[M+K]+ 354.10369 169.7
[M+H-H2O]+ 298.13779 159.8
[M+HCOO]- 360.13873 179.5
[M+CH3COO]- 374.15438 177.8
[M+Na-2H]- 336.11520 171.4
[M]+ 315.13998 166.8
[M]- 315.14108 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