CID 15956168

6-chloro-n-(4-morpholinophenyl)quinazolin-4-amine

Structural Information

Molecular Formula
C18H17ClN4O
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C18H17ClN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKey
RKZPZTGQHQQNKU-UHFFFAOYSA-N
Compound name
6-chloro-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

340.1091 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11638 179.6
[M+Na]+ 363.09832 186.7
[M-H]- 339.10182 185.4
[M+NH4]+ 358.14292 188.2
[M+K]+ 379.07226 180.3
[M+H-H2O]+ 323.10636 167.3
[M+HCOO]- 385.10730 190.5
[M+CH3COO]- 399.12295 188.3
[M+Na-2H]- 361.08377 186.0
[M]+ 340.10855 177.8
[M]- 340.10965 177.8
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