CID 1599048

2-chloro-n-[(furan-2-yl)methyl]quinazolin-4-amine

Structural Information

Molecular Formula
C13H10ClN3O
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=CO3
InChI
InChI=1S/C13H10ClN3O/c14-13-16-11-6-2-1-5-10(11)12(17-13)15-8-9-4-3-7-18-9/h1-7H,8H2,(H,15,16,17)
InChIKey
NARXCNYVOMSZRH-UHFFFAOYSA-N
Compound name
2-chloro-N-(furan-2-ylmethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.05124 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05852 154.4
[M+Na]+ 282.04046 165.7
[M-H]- 258.04396 160.6
[M+NH4]+ 277.08506 170.7
[M+K]+ 298.01440 160.7
[M+H-H2O]+ 242.04850 146.1
[M+HCOO]- 304.04944 174.0
[M+CH3COO]- 318.06509 167.6
[M+Na-2H]- 280.02591 163.3
[M]+ 259.05069 159.4
[M]- 259.05179 159.4
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