CID 9835143

Asn-his

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41518
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 159.2
[M+Na]+ 292.10162 161.2
[M+NH4]+ 287.14622 160.7
[M+K]+ 308.07556 164.4
[M-H]- 268.10512 155.2
[M+Na-2H]- 290.08707 158.0
[M]+ 269.11185 157.1
[M]- 269.11295 157.1
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