CID 9556296

Nsc685849

Structural Information

Molecular Formula
C23H20N4O
SMILES
CN(C)C1=CC=C(C=C1)/C=N/N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H20N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16H,1-2H3/b24-16+
InChIKey
ZODVXVXCAGSHMO-LFVJCYFKSA-N
Compound name
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

368.1637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17098 190.5
[M+Na]+ 391.15292 198.6
[M-H]- 367.15642 200.9
[M+NH4]+ 386.19752 201.1
[M+K]+ 407.12686 192.3
[M+H-H2O]+ 351.16096 177.6
[M+HCOO]- 413.16190 214.2
[M+CH3COO]- 427.17755 200.8
[M+Na-2H]- 389.13837 197.1
[M]+ 368.16315 192.4
[M]- 368.16425 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe