CID 7020333

Arginylalanine

Structural Information

Molecular Formula
C9H19N5O3
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C9H19N5O3/c1-5(8(16)17)14-7(15)6(10)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1
InChIKey
WVRUNFYJIHNFKD-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1766
Patents

245.14879 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15607 158.4
[M+Na]+ 268.13801 158.9
[M+NH4]+ 263.18261 160.8
[M+K]+ 284.11195 159.5
[M-H]- 244.14151 155.9
[M+Na-2H]- 266.12346 156.0
[M]+ 245.14824 156.5
[M]- 245.14934 156.5
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