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

1889
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 170.3
[M+Na]+ 325.15948 169.9
[M-H]- 301.16298 167.9
[M+NH4]+ 320.20408 181.3
[M+K]+ 341.13342 171.3
[M+H-H2O]+ 285.16752 161.4
[M+HCOO]- 347.16846 191.5
[M+CH3COO]- 361.18411 221.2
[M+Na-2H]- 323.14493 164.9
[M]+ 302.16971 163.2
[M]- 302.17081 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.