CID 14767397

L-glutaminyl-l-asparagine

Structural Information

Molecular Formula
C9H16N4O5
SMILES
C(CC(=O)N)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChI
InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)/t4-,5-/m0/s1
InChIKey
DXJZITDUDUPINW-WHFBIAKZSA-N
Compound name
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2101
Patents

260.11206 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.119336 158.7
[M+Na]+ 283.101278 160.2
[M-H]- 259.104784 155.6
[M+NH4]+ 278.145883 171.5
[M+K]+ 299.075218 161.2
[M+H-H2O]+ 243.109320 151.2
[M+HCOO]- 305.110261 178.0
[M+CH3COO]- 319.125911 205.2
[M+Na-2H]- 281.086726 154.0
[M]+ 260.11151142 153.0
[M]- 260.11260858 153.0
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