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

literature stripe

Patent stripe

patents stripe