CID 15956186

Tert-butyl n-[3-[4-(4-morpholinoanilino)quinazolin-6-yl]phenyl]carbamate

Structural Information

Molecular Formula
C29H31N5O3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C29H31N5O3/c1-29(2,3)37-28(35)33-23-6-4-5-20(17-23)21-7-12-26-25(18-21)27(31-19-30-26)32-22-8-10-24(11-9-22)34-13-15-36-16-14-34/h4-12,17-19H,13-16H2,1-3H3,(H,33,35)(H,30,31,32)
InChIKey
UXOTXLVHDRHDIT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.24268 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.24996 223.0
[M+Na]+ 520.23190 225.5
[M-H]- 496.23540 231.6
[M+NH4]+ 515.27650 223.3
[M+K]+ 536.20584 220.3
[M+H-H2O]+ 480.23994 208.3
[M+HCOO]- 542.24088 234.7
[M+CH3COO]- 556.25653 227.7
[M+Na-2H]- 518.21735 227.2
[M]+ 497.24213 220.2
[M]- 497.24323 220.2
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

No patent data available for this compound.