CID 3677454

618443-77-9

Structural Information

Molecular Formula
C17H11Cl2N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl
InChI
InChI=1S/C17H11Cl2N3O4/c18-9-3-11-16(12(19)4-9)20-7-22(17(11)24)6-15(23)21-10-1-2-13-14(5-10)26-8-25-13/h1-5,7H,6,8H2,(H,21,23)
InChIKey
HXXRKONPIFDIPI-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.01266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01994 186.8
[M+Na]+ 414.00188 198.3
[M-H]- 390.00538 193.9
[M+NH4]+ 409.04648 197.8
[M+K]+ 429.97582 194.0
[M+H-H2O]+ 374.00992 178.6
[M+HCOO]- 436.01086 195.5
[M+CH3COO]- 450.02651 197.3
[M+Na-2H]- 411.98733 190.6
[M]+ 391.01211 194.4
[M]- 391.01321 194.4
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.