CID 3747247

618443-73-5

Structural Information

Molecular Formula
C17H10Cl2N4O2
SMILES
C1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C#N
InChI
InChI=1S/C17H10Cl2N4O2/c18-11-5-13-16(14(19)6-11)21-9-23(17(13)25)8-15(24)22-12-3-1-2-10(4-12)7-20/h1-6,9H,8H2,(H,22,24)
InChIKey
BTNSXUWXUDYPCY-UHFFFAOYSA-N
Compound name
N-(3-cyanophenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.01807 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02535 184.8
[M+Na]+ 395.00729 197.9
[M-H]- 371.01079 187.5
[M+NH4]+ 390.05189 195.0
[M+K]+ 410.98123 188.5
[M+H-H2O]+ 355.01533 170.0
[M+HCOO]- 417.01627 193.2
[M+CH3COO]- 431.03192 193.2
[M+Na-2H]- 392.99274 187.7
[M]+ 372.01752 184.0
[M]- 372.01862 184.0
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.