CID 6610278

N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]benzamide hydrochloride

Structural Information

Molecular Formula
C23H20N4O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKey
IMYVCWQAHSYYOO-UHFFFAOYSA-N
Compound name
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

114
Patents

400.15353 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 195.2
[M+Na]+ 423.14275 201.6
[M-H]- 399.14625 203.0
[M+NH4]+ 418.18735 202.9
[M+K]+ 439.11669 196.0
[M+H-H2O]+ 383.15079 182.7
[M+HCOO]- 445.15173 216.1
[M+CH3COO]- 459.16738 203.9
[M+Na-2H]- 421.12820 201.5
[M]+ 400.15298 197.1
[M]- 400.15408 197.1
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