CID 15956196

Schembl4891839

Structural Information

Molecular Formula
C25H26N4OS
SMILES
CC(C)N(C1=CC=C(C=C1)N2CCOCC2)C3=NC=NC4=C3C=C(C=C4)C5=CC=CS5
InChI
InChI=1S/C25H26N4OS/c1-18(2)29(21-8-6-20(7-9-21)28-11-13-30-14-12-28)25-22-16-19(24-4-3-15-31-24)5-10-23(22)26-17-27-25/h3-10,15-18H,11-14H2,1-2H3
InChIKey
OGNMUCGMRXQBSV-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

430.18274 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19002 201.4
[M+Na]+ 453.17196 207.6
[M-H]- 429.17546 212.5
[M+NH4]+ 448.21656 208.6
[M+K]+ 469.14590 202.3
[M+H-H2O]+ 413.18000 189.9
[M+HCOO]- 475.18094 213.6
[M+CH3COO]- 489.19659 209.6
[M+Na-2H]- 451.15741 201.5
[M]+ 430.18219 202.6
[M]- 430.18329 202.6
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