CID 446922

Asn-gln

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2081
Patents

260.11206 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11934 159.0
[M+Na]+ 283.10128 159.0
[M+NH4]+ 278.14588 160.0
[M+K]+ 299.07522 161.3
[M-H]- 259.10478 154.2
[M+Na-2H]- 281.08673 155.0
[M]+ 260.11151 156.2
[M]- 260.11261 156.2
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