CID 7021454

Arginyl-serine

Structural Information

Molecular Formula
C9H19N5O4
SMILES
C(C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C9H19N5O4/c10-5(2-1-3-13-9(11)12)7(16)14-6(4-15)8(17)18/h5-6,15H,1-4,10H2,(H,14,16)(H,17,18)(H4,11,12,13)/t5-,6-/m0/s1
InChIKey
IJYZHIOOBGIINM-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4838
Patents

261.1437 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15098 160.6
[M+Na]+ 284.13292 160.1
[M+NH4]+ 279.17752 162.1
[M+K]+ 300.10686 161.6
[M-H]- 260.13642 157.0
[M+Na-2H]- 282.11837 157.2
[M]+ 261.14315 158.1
[M]- 261.14425 158.1
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

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