CID 14299174

H-asn-arg-oh

Structural Information

Molecular Formula
C10H20N6O4
SMILES
C(C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N)CN=C(N)N
InChI
InChI=1S/C10H20N6O4/c11-5(4-7(12)17)8(18)16-6(9(19)20)2-1-3-15-10(13)14/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)/t5-,6-/m0/s1
InChIKey
NPDLYUOYAGBHFB-WDSKDSINSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3832
Patents

288.1546 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16188 167.1
[M+Na]+ 311.14382 165.1
[M+NH4]+ 306.18842 167.7
[M+K]+ 327.11776 167.4
[M-H]- 287.14732 163.6
[M+Na-2H]- 309.12927 162.9
[M]+ 288.15405 164.2
[M]- 288.15515 164.2
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