CID 389367

Nsc685413

Structural Information

Molecular Formula
C15H24N6O6
SMILES
C1=CN(C(=O)NC1=O)CCCCCOC(=O)N[C@@H](CCN=C(N)N)C(=O)O
InChI
InChI=1S/C15H24N6O6/c16-13(17)18-6-4-10(12(23)24)19-15(26)27-9-3-1-2-7-21-8-5-11(22)20-14(21)25/h5,8,10H,1-4,6-7,9H2,(H,19,26)(H,23,24)(H4,16,17,18)(H,20,22,25)/t10-/m0/s1
InChIKey
LGYYAQNLSUMOQN-JTQLQIEISA-N
Compound name
(2S)-4-(diaminomethylideneamino)-2-[5-(2,4-dioxopyrimidin-1-yl)pentoxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17572 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18300 185.3
[M+Na]+ 407.16494 187.5
[M-H]- 383.16844 183.7
[M+NH4]+ 402.20954 191.2
[M+K]+ 423.13888 186.0
[M+H-H2O]+ 367.17298 175.2
[M+HCOO]- 429.17392 204.8
[M+CH3COO]- 443.18957 226.0
[M+Na-2H]- 405.15039 184.2
[M]+ 384.17517 184.3
[M]- 384.17627 184.3
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.