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

literature stripe

Patent stripe

patents stripe