CID 6995004

H-arg-glu-oh

Structural Information

Molecular Formula
C11H21N5O5
SMILES
C(C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/t6-,7-/m0/s1
InChIKey
HFKJBCPRWWGPEY-BQBZGAKWSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

3858
Patents

303.15427 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16155 170.5
[M+Na]+ 326.14349 168.8
[M+NH4]+ 321.18809 192.2
[M+K]+ 342.11743 171.1
[M-H]- 302.14699 165.8
[M+Na-2H]- 324.12894 165.8
[M]+ 303.15372 167.3
[M]- 303.15482 167.3
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