CID 14299174

Asn-arg

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

4480
Patents

288.1546 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.161876 166.1
[M+Na]+ 311.143818 166.1
[M-H]- 287.147324 163.8
[M+NH4]+ 306.188423 177.6
[M+K]+ 327.117758 167.6
[M+H-H2O]+ 271.151860 157.3
[M+HCOO]- 333.152801 187.6
[M+CH3COO]- 347.168451 218.3
[M+Na-2H]- 309.129266 161.1
[M]+ 288.15405142 158.6
[M]- 288.15514858 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.