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 163.8
[M+Na]+ 306.11727 165.7
[M-H]- 282.12077 161.0
[M+NH4]+ 301.16187 174.8
[M+K]+ 322.09121 164.6
[M+H-H2O]+ 266.12531 155.0
[M+HCOO]- 328.12625 181.2
[M+CH3COO]- 342.14190 202.3
[M+Na-2H]- 304.10272 161.4
[M]+ 283.12750 158.3
[M]- 283.12860 158.3
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