CID 15956182

Schembl4891765

Structural Information

Molecular Formula
C21H23N5O2
SMILES
CCNC(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C21H23N5O2/c1-2-22-21(27)15-3-8-19-18(13-15)20(24-14-23-19)25-16-4-6-17(7-5-16)26-9-11-28-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,22,27)(H,23,24,25)
InChIKey
PSSPGRIHHVWHLI-UHFFFAOYSA-N
Compound name
N-ethyl-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

377.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 191.0
[M+Na]+ 400.17440 195.0
[M-H]- 376.17790 196.9
[M+NH4]+ 395.21900 196.7
[M+K]+ 416.14834 190.0
[M+H-H2O]+ 360.18244 178.0
[M+HCOO]- 422.18338 206.1
[M+CH3COO]- 436.19903 198.2
[M+Na-2H]- 398.15985 196.4
[M]+ 377.18463 187.4
[M]- 377.18573 187.4
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