CID 5278489

Chembl193014

Structural Information

Molecular Formula
C23H29N7O2
SMILES
CCN1N=C(N=N1)C2=CC=C(C=C2)OCCC(C)CCN3CCN(C3=O)C4=CC=NC=C4
InChI
InChI=1S/C23H29N7O2/c1-3-30-26-22(25-27-30)19-4-6-21(7-5-19)32-17-11-18(2)10-14-28-15-16-29(23(28)31)20-8-12-24-13-9-20/h4-9,12-13,18H,3,10-11,14-17H2,1-2H3
InChIKey
QHRKYRPAFCRBPM-UHFFFAOYSA-N
Compound name
1-[5-[4-(2-ethyltetrazol-5-yl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

435.23828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24556 205.3
[M+Na]+ 458.22750 211.0
[M-H]- 434.23100 209.2
[M+NH4]+ 453.27210 207.9
[M+K]+ 474.20144 204.4
[M+H-H2O]+ 418.23554 191.0
[M+HCOO]- 480.23648 217.6
[M+CH3COO]- 494.25213 211.4
[M+Na-2H]- 456.21295 201.0
[M]+ 435.23773 207.1
[M]- 435.23883 207.1
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