CID 15956180

Schembl4888741

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CNC(=O)C1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C20H21N5O2/c1-21-20(26)14-2-7-18-17(12-14)19(23-13-22-18)24-15-3-5-16(6-4-15)25-8-10-27-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,26)(H,22,23,24)
InChIKey
GTFUAPWPTAAWHB-UHFFFAOYSA-N
Compound name
N-methyl-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.16953 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 186.7
[M+Na]+ 386.15875 191.2
[M-H]- 362.16225 192.8
[M+NH4]+ 381.20335 193.0
[M+K]+ 402.13269 186.4
[M+H-H2O]+ 346.16679 174.0
[M+HCOO]- 408.16773 202.2
[M+CH3COO]- 422.18338 194.4
[M+Na-2H]- 384.14420 192.6
[M]+ 363.16898 182.9
[M]- 363.17008 182.9
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