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

2
Patents

344.22122 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22850 190.3
[M+Na]+ 367.21044 194.5
[M-H]- 343.21394 191.7
[M+NH4]+ 362.25504 196.9
[M+K]+ 383.18438 188.0
[M+H-H2O]+ 327.21848 178.2
[M+HCOO]- 389.21942 199.2
[M+CH3COO]- 403.23507 212.2
[M+Na-2H]- 365.19589 187.7
[M]+ 344.22067 183.4
[M]- 344.22177 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