CID 5278488

Chembl191778

Structural Information

Molecular Formula
C22H27N7O2
SMILES
CC(CCN1CCN(C1=O)C2=CC=NC=C2)CCOC3=CC=C(C=C3)C4=NN(N=N4)C
InChI
InChI=1S/C22H27N7O2/c1-17(9-13-28-14-15-29(22(28)30)19-7-11-23-12-8-19)10-16-31-20-5-3-18(4-6-20)21-24-26-27(2)25-21/h3-8,11-12,17H,9-10,13-16H2,1-2H3
InChIKey
UMBVCTSKESXJDE-UHFFFAOYSA-N
Compound name
1-[3-methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

421.22263 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22991 201.4
[M+Na]+ 444.21185 207.6
[M-H]- 420.21535 205.5
[M+NH4]+ 439.25645 204.6
[M+K]+ 460.18579 201.2
[M+H-H2O]+ 404.21989 187.3
[M+HCOO]- 466.22083 214.1
[M+CH3COO]- 480.23648 207.9
[M+Na-2H]- 442.19730 197.5
[M]+ 421.22208 202.9
[M]- 421.22318 202.9
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.