CID 135465539

Achp

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)O
InChI
InChI=1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
InChIKey
DYVFBWXIOCLHPP-UHFFFAOYSA-N
Compound name
2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

211
Patents

364.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 183.6
[M+Na]+ 387.17912 196.1
[M-H]- 363.18262 189.7
[M+NH4]+ 382.22372 187.8
[M+K]+ 403.15306 184.4
[M+H-H2O]+ 347.18716 170.5
[M+HCOO]- 409.18810 197.3
[M+CH3COO]- 423.20375 191.2
[M+Na-2H]- 385.16457 184.7
[M]+ 364.18935 176.8
[M]- 364.19045 176.8
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

patents stripe