CID 3053465

3-(3-(4-phenyl-1-piperazinyl)propyl)-5,6-dimethyl-5,6-dihydrouracil hydrochloride

Structural Information

Molecular Formula
C19H28N4O2
SMILES
CC1C(NC(=O)N(C1=O)CCCN2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H28N4O2/c1-15-16(2)20-19(25)23(18(15)24)10-6-9-21-11-13-22(14-12-21)17-7-4-3-5-8-17/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,25)
InChIKey
MQWNZPPSTLEOKG-UHFFFAOYSA-N
Compound name
5,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.22122 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.228496 190.3
[M+Na]+ 367.210438 194.5
[M-H]- 343.213944 191.7
[M+NH4]+ 362.255043 196.9
[M+K]+ 383.184378 188.0
[M+H-H2O]+ 327.218480 178.2
[M+HCOO]- 389.219421 199.2
[M+CH3COO]- 403.235071 212.2
[M+Na-2H]- 365.195886 187.7
[M]+ 344.22067142 183.4
[M]- 344.22176858 183.4
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

patents stripe