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]+ 369.213236 187.5
[M+Na]+ 391.195178 192.7
[M-H]- 367.198684 186.5
[M+NH4]+ 386.239783 195.9
[M+K]+ 407.169118 189.7
[M+H-H2O]+ 351.203220 178.5
[M+HCOO]- 413.204161 205.4
[M+CH3COO]- 427.219811 222.5
[M+Na-2H]- 389.180626 184.7
[M]+ 368.20541142 190.8
[M]- 368.20650858 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.