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]+ 430.223736 204.9
[M+Na]+ 452.205678 210.4
[M-H]- 428.209184 216.6
[M+NH4]+ 447.250283 209.5
[M+K]+ 468.179618 206.5
[M+H-H2O]+ 412.213720 191.5
[M+HCOO]- 474.214661 222.2
[M+CH3COO]- 488.230311 213.0
[M+Na-2H]- 450.191126 207.8
[M]+ 429.21591142 205.7
[M]- 429.21700858 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