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

1893
Patents

302.17026 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.177536 170.3
[M+Na]+ 325.159478 169.9
[M-H]- 301.162984 167.9
[M+NH4]+ 320.204083 181.3
[M+K]+ 341.133418 171.3
[M+H-H2O]+ 285.167520 161.4
[M+HCOO]- 347.168461 191.5
[M+CH3COO]- 361.184111 221.2
[M+Na-2H]- 323.144926 164.9
[M]+ 302.16971142 163.2
[M]- 302.17080858 163.2
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.