CID 15956165

Schembl4882844

Structural Information

Molecular Formula
C25H27N5O2
SMILES
CN(C)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C25H27N5O2/c1-29(2)16-21-8-10-24(32-21)18-3-9-23-22(15-18)25(27-17-26-23)28-19-4-6-20(7-5-19)30-11-13-31-14-12-30/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,27,28)
InChIKey
RHIJFDUMIBPERD-UHFFFAOYSA-N
Compound name
6-[5-[(dimethylamino)methyl]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

429.21646 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22374 204.9
[M+Na]+ 452.20568 210.4
[M-H]- 428.20918 216.6
[M+NH4]+ 447.25028 209.5
[M+K]+ 468.17962 206.5
[M+H-H2O]+ 412.21372 191.5
[M+HCOO]- 474.21466 222.2
[M+CH3COO]- 488.23031 213.0
[M+Na-2H]- 450.19113 207.8
[M]+ 429.21591 205.7
[M]- 429.21701 205.7
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