CID 7009612

15706-88-4

Structural Information

Molecular Formula
C10H19N5O5
SMILES
C(C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChIKey
SIFXMYAHXJGAFC-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1718
Patents

289.1386 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14588 166.4
[M+Na]+ 312.12782 164.9
[M+NH4]+ 307.17242 166.7
[M+K]+ 328.10176 167.5
[M-H]- 288.13132 161.8
[M+Na-2H]- 310.11327 161.9
[M]+ 289.13805 163.3
[M]- 289.13915 163.3
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

patents stripe