CID 1888024

763136-07-8

Structural Information

Molecular Formula
C26H25N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C26H25N3O2S/c1-16-9-11-20(12-10-16)29-25(31)21-7-5-6-8-22(21)27-26(29)32-15-23(30)28-24-18(3)13-17(2)14-19(24)4/h5-14H,15H2,1-4H3,(H,28,30)
InChIKey
GZFWFTZJPIITPC-UHFFFAOYSA-N
Compound name
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.16675 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17403 209.8
[M+Na]+ 466.15597 219.2
[M-H]- 442.15947 218.2
[M+NH4]+ 461.20057 217.8
[M+K]+ 482.12991 210.9
[M+H-H2O]+ 426.16401 198.6
[M+HCOO]- 488.16495 223.8
[M+CH3COO]- 502.18060 218.3
[M+Na-2H]- 464.14142 209.5
[M]+ 443.16620 214.8
[M]- 443.16730 214.8
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.