CID 44552607

Bx2

Structural Information

Molecular Formula
C23H26N6O
SMILES
CCC1=CC(=CC(=N1)CC)[C@]2(C(=O)N(C(N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4
InChI
InChI=1S/C23H26N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14,22,28H,4-5,24H2,1-3H3/t22?,23-/m0/s1
InChIKey
QCPXSEJCMZZHAC-WCSIJFPASA-N
Compound name
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.2168 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22408 201.7
[M+Na]+ 425.20602 210.1
[M-H]- 401.20952 207.0
[M+NH4]+ 420.25062 208.1
[M+K]+ 441.17996 201.3
[M+H-H2O]+ 385.21406 188.8
[M+HCOO]- 447.21500 215.9
[M+CH3COO]- 461.23065 209.0
[M+Na-2H]- 423.19147 200.8
[M]+ 402.21625 199.1
[M]- 402.21735 199.1
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.