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

7
Patents

377.18518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 191.0
[M+Na]+ 400.174398 195.0
[M-H]- 376.177904 196.9
[M+NH4]+ 395.219003 196.7
[M+K]+ 416.148338 190.0
[M+H-H2O]+ 360.182440 178.0
[M+HCOO]- 422.183381 206.1
[M+CH3COO]- 436.199031 198.2
[M+Na-2H]- 398.159846 196.4
[M]+ 377.18463142 187.4
[M]- 377.18572858 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