CID 9900427

His-gln

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

787
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

literature stripe

Patent stripe

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