CID 25216500

Gln-arg

Structural Information

Molecular Formula
C11H22N6O4
SMILES
C(C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N)CN=C(N)N
InChI
InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)/t6-,7-/m0/s1
InChIKey
OPINTGHFESTVAX-BQBZGAKWSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1895
Patents

302.17026 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17754 171.2
[M+Na]+ 325.15948 169.0
[M+NH4]+ 320.20408 171.6
[M+K]+ 341.13342 171.1
[M-H]- 301.16298 167.6
[M+Na-2H]- 323.14493 166.8
[M]+ 302.16971 168.3
[M]- 302.17081 168.3
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