CID 473634

Ads-j14

Structural Information

Molecular Formula
C23H20ClN3O
SMILES
CC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)NC4=CC=CC=C4Cl
InChI
InChI=1S/C23H20ClN3O/c1-16(25-21-14-8-6-12-19(21)24)22-26-20-13-7-5-11-18(20)23(28)27(22)15-17-9-3-2-4-10-17/h2-14,16,25H,15H2,1H3
InChIKey
DXLNIBSZKPJRKJ-UHFFFAOYSA-N
Compound name
3-benzyl-2-[1-(2-chloroanilino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.1295 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13678 193.5
[M+Na]+ 412.11872 202.0
[M-H]- 388.12222 200.9
[M+NH4]+ 407.16332 203.1
[M+K]+ 428.09266 193.3
[M+H-H2O]+ 372.12676 181.9
[M+HCOO]- 434.12770 208.4
[M+CH3COO]- 448.14335 202.6
[M+Na-2H]- 410.10417 198.1
[M]+ 389.12895 195.8
[M]- 389.13005 195.8
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.