CID 15956190

Schembl4890852

Structural Information

Molecular Formula
C23H22N4O2S
SMILES
COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=CS4)N5CCOCC5
InChI
InChI=1S/C23H22N4O2S/c1-28-21-14-17(5-7-20(21)27-8-10-29-11-9-27)26-23-18-13-16(22-3-2-12-30-22)4-6-19(18)24-15-25-23/h2-7,12-15H,8-11H2,1H3,(H,24,25,26)
InChIKey
CGEFRQQCWSFXGM-UHFFFAOYSA-N
Compound name
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

418.14636 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15364 196.1
[M+Na]+ 441.13558 204.2
[M-H]- 417.13908 206.4
[M+NH4]+ 436.18018 203.5
[M+K]+ 457.10952 197.9
[M+H-H2O]+ 401.14362 184.9
[M+HCOO]- 463.14456 209.7
[M+CH3COO]- 477.16021 204.9
[M+Na-2H]- 439.12103 198.2
[M]+ 418.14581 197.7
[M]- 418.14691 197.7
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