CID 100271

64467-35-2

Structural Information

Molecular Formula
C17H21N5O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)C(=O)N2CCN(CC2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H21N5O3/c1-19-14(18)13(15(23)20(2)17(19)25)16(24)22-10-8-21(9-11-22)12-6-4-3-5-7-12/h3-7H,8-11,18H2,1-2H3
InChIKey
LOPKDFBMJCXVFK-UHFFFAOYSA-N
Compound name
6-amino-1,3-dimethyl-5-(4-phenylpiperazine-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

343.16443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 184.4
[M+Na]+ 366.15365 192.9
[M-H]- 342.15715 188.9
[M+NH4]+ 361.19825 191.6
[M+K]+ 382.12759 187.2
[M+H-H2O]+ 326.16169 172.8
[M+HCOO]- 388.16263 199.6
[M+CH3COO]- 402.17828 215.4
[M+Na-2H]- 364.13910 184.3
[M]+ 343.16388 181.8
[M]- 343.16498 181.8
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

No patent data available for this compound.