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

7
Patents

377.18518 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 191.6
[M+Na]+ 400.174398 195.7
[M-H]- 376.177904 198.9
[M+NH4]+ 395.219003 197.9
[M+K]+ 416.148338 192.1
[M+H-H2O]+ 360.182440 178.5
[M+HCOO]- 422.183381 207.1
[M+CH3COO]- 436.199031 199.3
[M+Na-2H]- 398.159846 196.2
[M]+ 377.18463142 189.2
[M]- 377.18572858 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