CID 15956176

4-[4-(4-morpholinoanilino)quinazolin-2-yl]benzonitrile

Structural Information

Molecular Formula
C25H21N5O
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C#N
InChI
InChI=1S/C25H21N5O/c26-17-18-5-7-19(8-6-18)24-28-23-4-2-1-3-22(23)25(29-24)27-20-9-11-21(12-10-20)30-13-15-31-16-14-30/h1-12H,13-16H2,(H,27,28,29)
InChIKey
FGHBBHYVHUUSNR-UHFFFAOYSA-N
Compound name
4-[4-(4-morpholin-4-ylanilino)quinazolin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17462 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18190 199.6
[M+Na]+ 430.16384 207.4
[M-H]- 406.16734 204.2
[M+NH4]+ 425.20844 202.5
[M+K]+ 446.13778 196.7
[M+H-H2O]+ 390.17188 178.9
[M+HCOO]- 452.17282 210.0
[M+CH3COO]- 466.18847 204.6
[M+Na-2H]- 428.14929 203.0
[M]+ 407.17407 189.7
[M]- 407.17517 189.7
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

No patent data available for this compound.