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]+ 315.181576 174.3
[M+Na]+ 337.163518 177.6
[M-H]- 313.167024 177.6
[M+NH4]+ 332.208123 184.3
[M+K]+ 353.137458 173.1
[M+H-H2O]+ 297.171560 163.7
[M+HCOO]- 359.172501 189.0
[M+CH3COO]- 373.188151 205.3
[M+Na-2H]- 335.148966 173.1
[M]+ 314.17375142 168.1
[M]- 314.17484858 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

patents stripe