CID 5272553

1,1-dibutyl-3-[4-[2-(butylamino)thiazol-4-yl]phenyl]urea

Structural Information

Molecular Formula
C22H34N4OS
SMILES
CCCCNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)N(CCCC)CCCC
InChI
InChI=1S/C22H34N4OS/c1-4-7-14-23-21-25-20(17-28-21)18-10-12-19(13-11-18)24-22(27)26(15-8-5-2)16-9-6-3/h10-13,17H,4-9,14-16H2,1-3H3,(H,23,25)(H,24,27)
InChIKey
UHFWIOYFNKXRIL-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-[4-[2-(butylamino)-1,3-thiazol-4-yl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.24533 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.25261 201.0
[M+Na]+ 425.23455 203.7
[M-H]- 401.23805 206.7
[M+NH4]+ 420.27915 212.8
[M+K]+ 441.20849 198.8
[M+H-H2O]+ 385.24259 190.9
[M+HCOO]- 447.24353 219.9
[M+CH3COO]- 461.25918 233.1
[M+Na-2H]- 423.22000 198.5
[M]+ 402.24478 206.3
[M]- 402.24588 206.3
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.