CID 5639

Urapidil

Structural Information

Molecular Formula

C₂₀H₂₉N₅O₃

SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3

InChIKey

ICMGLRUYEQNHPF-UHFFFAOYSA-N

Compound name

6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 589
References: 11442
Patents: 387.22705 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.234326	197.7
[M+Na]+	410.216268	204.5
[M-H]-	386.219774	201.7
[M+NH4]+	405.260873	203.3
[M+K]+	426.190208	198.6
[M+H-H2O]+	370.224310	184.9
[M+HCOO]-	432.225251	213.1
[M+CH3COO]-	446.240901	225.0
[M+Na-2H]-	408.201716	198.1
[M]+	387.22650142	198.2
[M]-	387.22759858	198.2

Literature stripe

literature stripe

Patent stripe

patents stripe