CID 13758221

Brn 5613815

Structural Information

Molecular Formula
C16H17N5OS
SMILES
CN(C)CC(=O)N/N=C/C1=C(N=C2N1C=CS2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N5OS/c1-20(2)11-14(22)19-17-10-13-15(12-6-4-3-5-7-12)18-16-21(13)8-9-23-16/h3-10H,11H2,1-2H3,(H,19,22)/b17-10+
InChIKey
NKNITNZXCYAOHF-LICLKQGHSA-N
Compound name
2-(dimethylamino)-N-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1154 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12268 175.3
[M+Na]+ 350.10462 183.9
[M-H]- 326.10812 184.4
[M+NH4]+ 345.14922 192.5
[M+K]+ 366.07856 180.5
[M+H-H2O]+ 310.11266 166.6
[M+HCOO]- 372.11360 198.9
[M+CH3COO]- 386.12925 217.1
[M+Na-2H]- 348.09007 177.7
[M]+ 327.11485 181.8
[M]- 327.11595 181.8
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

No patent data available for this compound.