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

10792
Patents

387.22705 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23433 197.7
[M+Na]+ 410.21627 204.5
[M-H]- 386.21977 201.7
[M+NH4]+ 405.26087 203.3
[M+K]+ 426.19021 198.6
[M+H-H2O]+ 370.22431 184.9
[M+HCOO]- 432.22525 213.1
[M+CH3COO]- 446.24090 225.0
[M+Na-2H]- 408.20172 198.1
[M]+ 387.22650 198.2
[M]- 387.22760 198.2
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