CID 15956183

Schembl4891734

Structural Information

Molecular Formula
C26H25N5O2
SMILES
CC(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C26H25N5O2/c1-18(32)29-22-4-2-3-19(15-22)20-5-10-25-24(16-20)26(28-17-27-25)30-21-6-8-23(9-7-21)31-11-13-33-14-12-31/h2-10,15-17H,11-14H2,1H3,(H,29,32)(H,27,28,30)
InChIKey
DYCVDMYMIGXWFL-UHFFFAOYSA-N
Compound name
N-[3-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

439.20084 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20812 207.1
[M+Na]+ 462.19006 210.9
[M-H]- 438.19356 215.8
[M+NH4]+ 457.23466 209.6
[M+K]+ 478.16400 204.5
[M+H-H2O]+ 422.19810 192.4
[M+HCOO]- 484.19904 221.3
[M+CH3COO]- 498.21469 213.1
[M+Na-2H]- 460.17551 211.5
[M]+ 439.20029 202.7
[M]- 439.20139 202.7
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