CID 132377

E-5324

Structural Information

Molecular Formula
C26H34N4O2
SMILES
CCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=NC(=C2CC)C3=CC=CC=C3)C
InChI
InChI=1S/C26H34N4O2/c1-4-6-16-27-26(31)29-24-20(3)12-10-15-23(24)32-18-11-17-30-19-28-25(22(30)5-2)21-13-8-7-9-14-21/h7-10,12-15,19H,4-6,11,16-18H2,1-3H3,(H2,27,29,31)
InChIKey
NQZTZGNLFLQHKG-UHFFFAOYSA-N
Compound name
1-butyl-3-[2-[3-(5-ethyl-4-phenylimidazol-1-yl)propoxy]-6-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

94
Patents

434.2682 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27548 210.5
[M+Na]+ 457.25742 214.5
[M-H]- 433.26092 217.1
[M+NH4]+ 452.30202 218.4
[M+K]+ 473.23136 208.3
[M+H-H2O]+ 417.26546 198.6
[M+HCOO]- 479.26640 231.8
[M+CH3COO]- 493.28205 236.1
[M+Na-2H]- 455.24287 209.2
[M]+ 434.26765 214.3
[M]- 434.26875 214.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe