CID 15956160

Al-9

Structural Information

Molecular Formula
C23H22N4O3
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CO
InChI
InChI=1S/C23H22N4O3/c28-14-19-6-8-22(30-19)16-1-7-21-20(13-16)23(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-29-12-10-27/h1-8,13,15,28H,9-12,14H2,(H,24,25,26)
InChIKey
LYZRWTKFOBBKKS-UHFFFAOYSA-N
Compound name
[5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

218
Patents

402.1692 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 194.6
[M+Na]+ 425.15842 201.2
[M-H]- 401.16192 204.1
[M+NH4]+ 420.20302 199.4
[M+K]+ 441.13236 196.3
[M+H-H2O]+ 385.16646 182.2
[M+HCOO]- 447.16740 209.8
[M+CH3COO]- 461.18305 202.8
[M+Na-2H]- 423.14387 198.3
[M]+ 402.16865 193.9
[M]- 402.16975 193.9
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

No patent data available for this compound.