CID 69083065

Ama3se8geh

Structural Information

Molecular Formula
C17H22N4O2
SMILES
C1CCC(CC1)N2C=C(N=C2)[C@@H](CC3=CN=C(C=C3)N)C(=O)O
InChI
InChI=1S/C17H22N4O2/c18-16-7-6-12(9-19-16)8-14(17(22)23)15-10-21(11-20-15)13-4-2-1-3-5-13/h6-7,9-11,13-14H,1-5,8H2,(H2,18,19)(H,22,23)/t14-/m1/s1
InChIKey
XHKJBNCTUYFLDC-CQSZACIVSA-N
Compound name
(2R)-3-(6-amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

314.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 174.3
[M+Na]+ 337.16352 177.6
[M-H]- 313.16702 177.6
[M+NH4]+ 332.20812 184.3
[M+K]+ 353.13746 173.1
[M+H-H2O]+ 297.17156 163.7
[M+HCOO]- 359.17250 189.0
[M+CH3COO]- 373.18815 205.3
[M+Na-2H]- 335.14897 173.1
[M]+ 314.17375 168.1
[M]- 314.17485 168.1
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

No patent data available for this compound.