CID 11612007

[6-(5-[1,3]dioxolan-2-yl-furan-2-yl)-quinazolin-4-yl]-(4-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C25H24N4O4
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C6OCCO6
InChI
InChI=1S/C25H24N4O4/c1-6-21-20(15-17(1)22-7-8-23(33-22)25-31-13-14-32-25)24(27-16-26-21)28-18-2-4-19(5-3-18)29-9-11-30-12-10-29/h1-8,15-16,25H,9-14H2,(H,26,27,28)
InChIKey
HQHCLTHGBLUULG-UHFFFAOYSA-N
Compound name
6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

444.17975 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 200.4
[M+Na]+ 467.16897 206.0
[M-H]- 443.17247 215.0
[M+NH4]+ 462.21357 202.7
[M+K]+ 483.14291 204.5
[M+H-H2O]+ 427.17701 189.6
[M+HCOO]- 489.17795 213.8
[M+CH3COO]- 503.19360 208.6
[M+Na-2H]- 465.15442 200.1
[M]+ 444.17920 200.3
[M]- 444.18030 200.3
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

patents stripe