CID 9878293

Histidylthreonine

Structural Information

Molecular Formula
C10H16N4O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N)O
InChI
InChI=1S/C10H16N4O4/c1-5(15)8(10(17)18)14-9(16)7(11)2-6-3-12-4-13-6/h3-5,7-8,15H,2,11H2,1H3,(H,12,13)(H,14,16)(H,17,18)/t5-,7+,8+/m1/s1
InChIKey
WRPDZHJNLYNFFT-DTLFHODZSA-N
Compound name
(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.11716 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 158.2
[M+Na]+ 279.10638 160.7
[M-H]- 255.10988 154.6
[M+NH4]+ 274.15098 170.3
[M+K]+ 295.08032 159.7
[M+H-H2O]+ 239.11442 150.3
[M+HCOO]- 301.11536 173.8
[M+CH3COO]- 315.13101 192.9
[M+Na-2H]- 277.09183 156.1
[M]+ 256.11661 153.0
[M]- 256.11771 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

No literature data available for this compound.

Patent stripe

patents stripe