CID 18218219

Isoleucylhistidine

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)O)N
InChI
InChI=1S/C12H20N4O3/c1-3-7(2)10(13)11(17)16-9(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKey
QNBYCZTZNOVDMI-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1058
Patents

268.15353 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 163.2
[M+Na]+ 291.14275 166.8
[M+NH4]+ 286.18735 166.0
[M+K]+ 307.11669 168.3
[M-H]- 267.14625 159.9
[M+Na-2H]- 289.12820 162.8
[M]+ 268.15298 161.8
[M]- 268.15408 161.8
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