CID 15956181

Schembl4888073

Structural Information

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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19246 191.6
[M+Na]+ 400.17440 195.7
[M-H]- 376.17790 198.9
[M+NH4]+ 395.21900 197.9
[M+K]+ 416.14834 192.1
[M+H-H2O]+ 360.18244 178.5
[M+HCOO]- 422.18338 207.1
[M+CH3COO]- 436.19903 199.3
[M+Na-2H]- 398.15985 196.2
[M]+ 377.18463 189.2
[M]- 377.18573 189.2
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