CID 3070834

Cm 40331

Structural Information

Molecular Formula
C19H17Cl2N3O
SMILES
C1CN(CCC1O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H17Cl2N3O/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)23-19(22-17)24-9-7-13(25)8-10-24/h1-6,11,13,25H,7-10H2
InChIKey
LQZRBKSCDSTHFT-UHFFFAOYSA-N
Compound name
1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.07486 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08214 185.7
[M+Na]+ 396.06408 194.6
[M-H]- 372.06758 189.3
[M+NH4]+ 391.10868 195.0
[M+K]+ 412.03802 185.8
[M+H-H2O]+ 356.07212 174.4
[M+HCOO]- 418.07306 189.6
[M+CH3COO]- 432.08871 193.7
[M+Na-2H]- 394.04953 187.9
[M]+ 373.07431 184.6
[M]- 373.07541 184.6
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