CID 9900076

His-asn

Structural Information

Molecular Formula
C10H15N5O4
SMILES
C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1
InChIKey
WSDOHRLQDGAOGU-BQBZGAKWSA-N
Compound name
(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4657
Patents

269.1124 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11968 159.5
[M+Na]+ 292.10162 161.8
[M-H]- 268.10512 156.8
[M+NH4]+ 287.14622 171.0
[M+K]+ 308.07556 160.9
[M+H-H2O]+ 252.10966 150.9
[M+HCOO]- 314.11060 177.2
[M+CH3COO]- 328.12625 199.4
[M+Na-2H]- 290.08707 157.5
[M]+ 269.11185 153.7
[M]- 269.11295 153.7
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

patents stripe