CID 7016110

Thr-arg

Structural Information

Molecular Formula
C10H21N5O4
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O
InChI
InChI=1S/C10H21N5O4/c1-5(16)7(11)8(17)15-6(9(18)19)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
HYLXOQURIOCKIH-VQVTYTSYSA-N
Compound name
(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3641
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

No literature data available for this compound.

Patent stripe

patents stripe