CID 7009553

Arg-ile

Structural Information

Molecular Formula
C12H25N5O3
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C12H25N5O3/c1-3-7(2)9(11(19)20)17-10(18)8(13)5-4-6-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t7-,8-,9-/m0/s1
InChIKey
QYLJIYOGHRGUIH-CIUDSAMLSA-N
Compound name
(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2530
Patents

287.19574 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20302 171.4
[M+Na]+ 310.18496 170.9
[M+NH4]+ 305.22956 173.1
[M+K]+ 326.15890 171.6
[M-H]- 286.18846 168.5
[M+Na-2H]- 308.17041 167.9
[M]+ 287.19519 169.2
[M]- 287.19629 169.2
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