CID 320625

Nsc268815

Structural Information

Molecular Formula
C30H29N3O
SMILES
CN(C)C1=C(C=C(C=C1)C(CC2=CC=NC3=CC=CC=C23)CC4=CC=NC5=CC=CC=C45)OC
InChI
InChI=1S/C30H29N3O/c1-33(2)29-13-12-21(20-30(29)34-3)24(18-22-14-16-31-27-10-6-4-8-25(22)27)19-23-15-17-32-28-11-7-5-9-26(23)28/h4-17,20,24H,18-19H2,1-3H3
InChIKey
GWBUPVOEZKFUBB-UHFFFAOYSA-N
Compound name
4-[1,3-di(quinolin-4-yl)propan-2-yl]-2-methoxy-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.23105 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23833 215.0
[M+Na]+ 470.22027 221.0
[M-H]- 446.22377 223.9
[M+NH4]+ 465.26487 222.2
[M+K]+ 486.19421 213.6
[M+H-H2O]+ 430.22831 200.7
[M+HCOO]- 492.22925 232.8
[M+CH3COO]- 506.24490 222.4
[M+Na-2H]- 468.20572 219.3
[M]+ 447.23050 218.2
[M]- 447.23160 218.2
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.