CID 154726322

2408852-85-5

Structural Information

Molecular Formula
C23H26N4O2
SMILES
CN1C=C(C=N1)C2=CN=CC(=C2)C3=CC(=C(C=C3)C(=O)N)OCC4CCCCC4
InChI
InChI=1S/C23H26N4O2/c1-27-14-20(13-26-27)19-9-18(11-25-12-19)17-7-8-21(23(24)28)22(10-17)29-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H2,24,28)
InChIKey
GVUSXSICAJDBKN-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethoxy)-4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.20557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 195.4
[M+Na]+ 413.19479 199.7
[M-H]- 389.19829 203.1
[M+NH4]+ 408.23939 202.8
[M+K]+ 429.16873 193.4
[M+H-H2O]+ 373.20283 182.9
[M+HCOO]- 435.20377 211.5
[M+CH3COO]- 449.21942 203.0
[M+Na-2H]- 411.18024 193.3
[M]+ 390.20502 191.6
[M]- 390.20612 191.6
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

No patent data available for this compound.