CID 9814348

Gln-his

Structural Information

Molecular Formula
C11H17N5O4
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1
InChIKey
JZOYFBPIEHCDFV-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

732
Patents

283.12805 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13533 163.4
[M+Na]+ 306.11727 165.2
[M+NH4]+ 301.16187 164.8
[M+K]+ 322.09121 168.1
[M-H]- 282.12077 159.4
[M+Na-2H]- 304.10272 162.0
[M]+ 283.12750 161.2
[M]- 283.12860 161.2
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