CID 661819

Smr000042460

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC1CCCCN1C2=NC(=NC3=CC=CC=C32)C4=C(C(=CC=C4)OC)O
InChI
InChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3
InChIKey
WNPXRNJEBMRJGV-UHFFFAOYSA-N
Compound name
2-methoxy-6-[4-(2-methylpiperidin-1-yl)quinazolin-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

761
Patents

349.17902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 187.9
[M+Na]+ 372.168238 194.8
[M-H]- 348.171744 192.5
[M+NH4]+ 367.212843 196.7
[M+K]+ 388.142178 188.0
[M+H-H2O]+ 332.176280 175.7
[M+HCOO]- 394.177221 201.0
[M+CH3COO]- 408.192871 196.0
[M+Na-2H]- 370.153686 190.3
[M]+ 349.17847142 185.2
[M]- 349.17956858 185.2
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