CID 15956159

5-[4-(4-morpholinoanilino)-1h-quinazolin-4-yl]furan-2-carbaldehyde

Structural Information

Molecular Formula
C23H22N4O3
SMILES
C1COCCN1C2=CC=C(C=C2)NC3(C4=CC=CC=C4NC=N3)C5=CC=C(O5)C=O
InChI
InChI=1S/C23H22N4O3/c28-15-19-9-10-22(30-19)23(20-3-1-2-4-21(20)24-16-25-23)26-17-5-7-18(8-6-17)27-11-13-29-14-12-27/h1-10,15-16,26H,11-14H2,(H,24,25)
InChIKey
ZQSBQULNRIEITQ-UHFFFAOYSA-N
Compound name
5-[4-(4-morpholin-4-ylanilino)-1H-quinazolin-4-yl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1692 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 194.4
[M+Na]+ 425.15842 199.6
[M-H]- 401.16192 203.1
[M+NH4]+ 420.20302 200.7
[M+K]+ 441.13236 194.9
[M+H-H2O]+ 385.16646 181.7
[M+HCOO]- 447.16740 207.2
[M+CH3COO]- 461.18305 201.9
[M+Na-2H]- 423.14387 197.9
[M]+ 402.16865 190.3
[M]- 402.16975 190.3
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.