CID 392554

Nsc693098

Structural Information

Molecular Formula
C17H22N4O5
SMILES
CC1=C(N(C(=O)NC1=O)C(C)OCCN(C(=O)N)O)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N4O5/c1-11-14(10-13-6-4-3-5-7-13)21(17(24)19-15(11)22)12(2)26-9-8-20(25)16(18)23/h3-7,12,25H,8-10H2,1-2H3,(H2,18,23)(H,19,22,24)
InChIKey
WAKYVXUPTLGINL-UHFFFAOYSA-N
Compound name
1-[2-[1-(6-benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15903 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16631 183.5
[M+Na]+ 385.14825 189.4
[M-H]- 361.15175 186.3
[M+NH4]+ 380.19285 191.5
[M+K]+ 401.12219 186.6
[M+H-H2O]+ 345.15629 173.6
[M+HCOO]- 407.15723 202.6
[M+CH3COO]- 421.17288 219.3
[M+Na-2H]- 383.13370 183.4
[M]+ 362.15848 185.0
[M]- 362.15958 185.0
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

No patent data available for this compound.