CID 162345087

Ns00133050

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)C2=NC(NC3=C2C=C(C=C3)Cl)C=O
InChI
InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(18-14(9-19)17-13)10-4-2-1-3-5-10/h1-9,14,17H
InChIKey
DCMQJDDHQDMABA-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-1,2-dihydroquinazoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.063276 159.1
[M+Na]+ 293.045218 169.0
[M-H]- 269.048724 162.5
[M+NH4]+ 288.089823 173.9
[M+K]+ 309.019158 161.4
[M+H-H2O]+ 253.053260 150.6
[M+HCOO]- 315.054201 172.9
[M+CH3COO]- 329.069851 170.3
[M+Na-2H]- 291.030666 165.6
[M]+ 270.05545142 158.9
[M]- 270.05654858 158.9
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.