CID 15956197

Schembl4893415

Structural Information

Molecular Formula
C27H30N4OS
SMILES
CC(C)CCN(C1=CC=C(C=C1)N2CCOCC2)C3=NC=NC4=C3C=C(C=C4)C5=CC=CS5
InChI
InChI=1S/C27H30N4OS/c1-20(2)11-12-31(23-8-6-22(7-9-23)30-13-15-32-16-14-30)27-24-18-21(26-4-3-17-33-26)5-10-25(24)28-19-29-27/h3-10,17-20H,11-16H2,1-2H3
InChIKey
COBQDKKIDUYQKQ-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)-N-(4-morpholin-4-ylphenyl)-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

458.21402 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22130 209.7
[M+Na]+ 481.20324 214.9
[M-H]- 457.20674 220.3
[M+NH4]+ 476.24784 215.6
[M+K]+ 497.17718 209.2
[M+H-H2O]+ 441.21128 197.7
[M+HCOO]- 503.21222 221.1
[M+CH3COO]- 517.22787 217.0
[M+Na-2H]- 479.18869 208.8
[M]+ 458.21347 211.4
[M]- 458.21457 211.4
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