CID 15956170

Schembl4892850

Structural Information

Molecular Formula
C21H19N5OS
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=NC=CS5
InChI
InChI=1S/C21H19N5OS/c1-6-19-18(13-15(1)21-22-7-12-28-21)20(24-14-23-19)25-16-2-4-17(5-3-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,24,25)
InChIKey
OVQXGRWUEXQJMZ-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

389.13104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13832 187.0
[M+Na]+ 412.12026 195.6
[M-H]- 388.12376 196.0
[M+NH4]+ 407.16486 194.1
[M+K]+ 428.09420 188.6
[M+H-H2O]+ 372.12830 175.6
[M+HCOO]- 434.12924 199.9
[M+CH3COO]- 448.14489 195.9
[M+Na-2H]- 410.10571 190.5
[M]+ 389.13049 186.8
[M]- 389.13159 186.8
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