CID 7010583

His-glu

Structural Information

Molecular Formula
C11H16N4O5
SMILES
C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1
InChIKey
VHOLZZKNEBBHTH-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2746
Patents

284.11206 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11934 163.3
[M+Na]+ 307.10128 165.6
[M+NH4]+ 302.14588 164.4
[M+K]+ 323.07522 168.7
[M-H]- 283.10478 158.2
[M+Na-2H]- 305.08673 161.5
[M]+ 284.11151 160.9
[M]- 284.11261 160.9
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