CID 50307

Brn 1026301

Structural Information

Molecular Formula
C17H21N3O2S
SMILES
CCN(CC)CCNC(=O)C1=NOC2=CSC3=CC=CCC3=C21
InChI
InChI=1S/C17H21N3O2S/c1-3-20(4-2)10-9-18-17(21)16-15-12-7-5-6-8-14(12)23-11-13(15)22-19-16/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,21)
InChIKey
USMOIVJPVDAWKY-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-9H-thiochromeno[4,3-d][1,2]oxazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.13544 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14272 176.2
[M+Na]+ 354.12466 183.4
[M-H]- 330.12816 182.1
[M+NH4]+ 349.16926 192.1
[M+K]+ 370.09860 180.8
[M+H-H2O]+ 314.13270 168.7
[M+HCOO]- 376.13364 193.4
[M+CH3COO]- 390.14929 215.6
[M+Na-2H]- 352.11011 180.1
[M]+ 331.13489 182.9
[M]- 331.13599 182.9
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.