CID 3002281

1-[[2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]acetyl]amino]-3-butyl-thiourea

Structural Information

Molecular Formula
C18H20BrN5OS2
SMILES
CCCCNC(=S)NNC(=O)CC1=CSC2=NC(=CN12)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H20BrN5OS2/c1-2-3-8-20-17(26)23-22-16(25)9-14-11-27-18-21-15(10-24(14)18)12-4-6-13(19)7-5-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,25)(H2,20,23,26)
InChIKey
WKNDGFDNKBUFHB-UHFFFAOYSA-N
Compound name
1-[[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-3-butylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.02927 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.03655 182.6
[M+Na]+ 488.01849 194.1
[M-H]- 464.02199 190.9
[M+NH4]+ 483.06309 197.9
[M+K]+ 503.99243 179.4
[M+H-H2O]+ 448.02653 181.3
[M+HCOO]- 510.02747 195.6
[M+CH3COO]- 524.04312 194.2
[M+Na-2H]- 486.00394 185.0
[M]+ 465.02872 205.4
[M]- 465.02982 205.4
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.