CID 100686

4-chloro-6,7,8-trimethoxyquinazoline

Structural Information

Molecular Formula
C11H11ClN2O3
SMILES
COC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OC)OC
InChI
InChI=1S/C11H11ClN2O3/c1-15-7-4-6-8(13-5-14-11(6)12)10(17-3)9(7)16-2/h4-5H,1-3H3
InChIKey
BIICRHXSGPYQOV-UHFFFAOYSA-N
Compound name
4-chloro-6,7,8-trimethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

254.04582 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.053096 150.9
[M+Na]+ 277.035038 163.1
[M-H]- 253.038544 153.6
[M+NH4]+ 272.079643 168.0
[M+K]+ 293.008978 159.7
[M+H-H2O]+ 237.043080 143.8
[M+HCOO]- 299.044021 168.0
[M+CH3COO]- 313.059671 194.7
[M+Na-2H]- 275.020486 158.1
[M]+ 254.04527142 159.1
[M]- 254.04636858 159.1
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