CID 15956169

Schembl4891700

Structural Information

Molecular Formula
C25H24N4O
SMILES
CC1=CC=CC=C1C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C25H24N4O/c1-18-4-2-3-5-22(18)19-6-11-24-23(16-19)25(27-17-26-24)28-20-7-9-21(10-8-20)29-12-14-30-15-13-29/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKey
GVKVCZWLMJSCIT-UHFFFAOYSA-N
Compound name
6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

396.195 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20228 199.2
[M+Na]+ 419.18422 204.6
[M-H]- 395.18772 207.9
[M+NH4]+ 414.22882 204.1
[M+K]+ 435.15816 197.4
[M+H-H2O]+ 379.19226 184.6
[M+HCOO]- 441.19320 213.3
[M+CH3COO]- 455.20885 206.3
[M+Na-2H]- 417.16967 203.9
[M]+ 396.19445 194.9
[M]- 396.19555 194.9
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