CID 1904923

3-[(6-chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)NCCCO
InChI
InChI=1S/C17H16ClN3O/c18-13-7-8-15-14(11-13)16(12-5-2-1-3-6-12)21-17(20-15)19-9-4-10-22/h1-3,5-8,11,22H,4,9-10H2,(H,19,20,21)
InChIKey
RXNLIELAKWOBFH-UHFFFAOYSA-N
Compound name
3-[(6-chloro-4-phenylquinazolin-2-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

314
Patents

313.09818 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 171.1
[M+Na]+ 336.08740 180.0
[M-H]- 312.09090 174.4
[M+NH4]+ 331.13200 183.9
[M+K]+ 352.06134 172.3
[M+H-H2O]+ 296.09544 161.9
[M+HCOO]- 358.09638 186.6
[M+CH3COO]- 372.11203 181.4
[M+Na-2H]- 334.07285 178.3
[M]+ 313.09763 173.2
[M]- 313.09873 173.2
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