CID 155820715

2460757-48-4

Structural Information

Molecular Formula
C31H35ClN4O3
SMILES
COC1=CC=C(C=C1)CCC2=NC3=C(C=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)N2CC(=O)NCCCCCCN
InChI
InChI=1S/C31H35ClN4O3/c1-39-26-14-6-22(7-15-26)8-17-29-35-28-16-11-24(23-9-12-25(32)13-10-23)20-27(28)31(38)36(29)21-30(37)34-19-5-3-2-4-18-33/h6-7,9-16,20H,2-5,8,17-19,21,33H2,1H3,(H,34,37)
InChIKey
CUNZAIIKXUNWBB-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-2-[6-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.23975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24703 237.8
[M+Na]+ 569.22897 243.1
[M-H]- 545.23247 243.9
[M+NH4]+ 564.27357 240.6
[M+K]+ 585.20291 234.3
[M+H-H2O]+ 529.23701 224.5
[M+HCOO]- 591.23795 250.8
[M+CH3COO]- 605.25360 256.1
[M+Na-2H]- 567.21442 236.8
[M]+ 546.23920 243.8
[M]- 546.24030 243.8
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.