CID 63180

95893-19-9

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)C(=O)N2C)O
InChI
InChI=1S/C23H29N3O4/c1-23(2,3)24-13-16(27)14-30-17-8-6-15(7-9-17)21-25-20-11-10-18(29-5)12-19(20)22(28)26(21)4/h6-12,16,24,27H,13-14H2,1-5H3
InChIKey
NJLURZOPCFJTSE-UHFFFAOYSA-N
Compound name
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

411.21582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 203.1
[M+Na]+ 434.20504 209.8
[M-H]- 410.20854 206.9
[M+NH4]+ 429.24964 211.2
[M+K]+ 450.17898 205.5
[M+H-H2O]+ 394.21308 192.9
[M+HCOO]- 456.21402 218.9
[M+CH3COO]- 470.22967 228.9
[M+Na-2H]- 432.19049 206.0
[M]+ 411.21527 208.0
[M]- 411.21637 208.0
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