CID 46780247

1159977-03-3

Structural Information

Molecular Formula
C10H9Cl2N3O2
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=C(N1CC(=O)O)N
InChI
InChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17)
InChIKey
LXLOZUWWCLJYGV-UHFFFAOYSA-N
Compound name
2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

273.00717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01445 154.0
[M+Na]+ 295.99639 164.7
[M-H]- 271.99989 153.9
[M+NH4]+ 291.04099 169.3
[M+K]+ 311.97033 158.7
[M+H-H2O]+ 256.00443 148.5
[M+HCOO]- 318.00537 162.9
[M+CH3COO]- 332.02102 196.5
[M+Na-2H]- 293.98184 157.8
[M]+ 273.00662 155.4
[M]- 273.00772 155.4
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

patents stripe