CID 2402625

730997-83-8

Structural Information

Molecular Formula
C17H28N4O5
SMILES
CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)O
InChI
InChI=1S/C17H28N4O5/c1-3-5-7-11-20(12(22)8-9-13(23)24)14-15(18)21(10-6-4-2)17(26)19-16(14)25/h3-11,18H2,1-2H3,(H,23,24)(H,19,25,26)
InChIKey
BJNLSRLSUCZBSJ-UHFFFAOYSA-N
Compound name
4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.20596 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21324 187.5
[M+Na]+ 391.19518 192.7
[M-H]- 367.19868 186.5
[M+NH4]+ 386.23978 195.9
[M+K]+ 407.16912 189.7
[M+H-H2O]+ 351.20322 178.5
[M+HCOO]- 413.20416 205.4
[M+CH3COO]- 427.21981 222.5
[M+Na-2H]- 389.18063 184.7
[M]+ 368.20541 190.8
[M]- 368.20651 190.8
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.