CID 13758228

Brn 5617565

Structural Information

Molecular Formula
C17H21N5OS
SMILES
CC1=CC=C(C=C1)C2=C(N3CCSC3=N2)/C=N/NC(=O)CN(C)C
InChI
InChI=1S/C17H21N5OS/c1-12-4-6-13(7-5-12)16-14(22-8-9-24-17(22)19-16)10-18-20-15(23)11-21(2)3/h4-7,10H,8-9,11H2,1-3H3,(H,20,23)/b18-10+
InChIKey
OOUCDQBMKWSYEI-VCHYOVAHSA-N
Compound name
2-(dimethylamino)-N-[(E)-[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15395 181.3
[M+Na]+ 366.13589 188.2
[M-H]- 342.13939 189.6
[M+NH4]+ 361.18049 197.9
[M+K]+ 382.10983 185.0
[M+H-H2O]+ 326.14393 172.7
[M+HCOO]- 388.14487 201.7
[M+CH3COO]- 402.16052 221.8
[M+Na-2H]- 364.12134 180.8
[M]+ 343.14612 185.7
[M]- 343.14722 185.7
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.