CID 25109623

Arginylthreonine

Structural Information

Molecular Formula
C10H21N5O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O
InChI
InChI=1S/C10H21N5O4/c1-5(16)7(9(18)19)15-8(17)6(11)3-2-4-14-10(12)13/h5-7,16H,2-4,11H2,1H3,(H,15,17)(H,18,19)(H4,12,13,14)/t5-,6+,7+/m1/s1
InChIKey
XNSKSTRGQIPTSE-VQVTYTSYSA-N
Compound name
(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

275.15936 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16664 165.3
[M+Na]+ 298.14858 165.4
[M-H]- 274.15208 162.1
[M+NH4]+ 293.19318 177.4
[M+K]+ 314.12252 166.7
[M+H-H2O]+ 258.15662 157.3
[M+HCOO]- 320.15756 184.8
[M+CH3COO]- 334.17321 211.7
[M+Na-2H]- 296.13403 160.3
[M]+ 275.15881 158.4
[M]- 275.15991 158.4
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