CID 10139005

Dw-1350

Structural Information

Molecular Formula
C25H31N3O3S
SMILES
CC1=NC(=C(S1)C(C)C)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C25H31N3O3S/c1-17(2)24-23(27-18(3)32-24)19-7-11-21(12-8-19)30-15-5-4-6-16-31-22-13-9-20(10-14-22)25(26)28-29/h7-14,17,29H,4-6,15-16H2,1-3H3,(H2,26,28)
InChIKey
JDXVNCOKDAGOAM-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

453.20862 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.21590 212.1
[M+Na]+ 476.19784 222.2
[M+NH4]+ 471.24244 217.7
[M+K]+ 492.17178 215.1
[M-H]- 452.20134 217.4
[M+Na-2H]- 474.18329 218.2
[M]+ 453.20807 215.3
[M]- 453.20917 215.3
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

patents stripe