CID 11544682

Sar-104772

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CCOC(=O)C(CC1=CN=C(C=C1)N)C2=CN(C=N2)C3CCCCC3
InChI
InChI=1S/C19H26N4O2/c1-2-25-19(24)16(10-14-8-9-18(20)21-11-14)17-12-23(13-22-17)15-6-4-3-5-7-15/h8-9,11-13,15-16H,2-7,10H2,1H3,(H2,20,21)
InChIKey
UMNZFTZTLPYOTD-UHFFFAOYSA-N
Compound name
ethyl 3-(6-amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

342.20557 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.212846 183.3
[M+Na]+ 365.194788 186.2
[M-H]- 341.198294 187.5
[M+NH4]+ 360.239393 192.9
[M+K]+ 381.168728 182.0
[M+H-H2O]+ 325.202830 172.0
[M+HCOO]- 387.203771 198.8
[M+CH3COO]- 401.219421 212.8
[M+Na-2H]- 363.180236 181.4
[M]+ 342.20502142 179.5
[M]- 342.20611858 179.5
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