CID 3049724

65189-22-2

Structural Information

Molecular Formula
C23H26N4O4
SMILES
COC1=CC=CC(=C1)C(=O)C2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C23H26N4O4/c1-29-16-6-4-5-15(11-16)21(28)14-7-9-27(10-8-14)23-25-18-13-20(31-3)19(30-2)12-17(18)22(24)26-23/h4-6,11-14H,7-10H2,1-3H3,(H2,24,25,26)
InChIKey
IMFJVWMCKNVGSJ-UHFFFAOYSA-N
Compound name
[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(3-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.1954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 204.5
[M+Na]+ 445.18462 210.3
[M-H]- 421.18812 210.1
[M+NH4]+ 440.22922 210.2
[M+K]+ 461.15856 205.4
[M+H-H2O]+ 405.19266 191.7
[M+HCOO]- 467.19360 218.3
[M+CH3COO]- 481.20925 232.1
[M+Na-2H]- 443.17007 204.7
[M]+ 422.19485 204.7
[M]- 422.19595 204.7
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