CID 3041262

Brn 0468277

Structural Information

Molecular Formula
C41H54N4O
SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)C(CCN(C(C)C)C(C)C)(C3=CC=CC=C3)C4=CC=CC=N4)C(C)C
InChI
InChI=1S/C41H54N4O/c1-31(2)44(32(3)4)29-25-40(35-19-11-9-12-20-35,37-23-15-17-27-42-37)39(46)41(36-21-13-10-14-22-36,38-24-16-18-28-43-38)26-30-45(33(5)6)34(7)8/h9-24,27-28,31-34H,25-26,29-30H2,1-8H3
InChIKey
YXKOIBYNUMLJAP-UHFFFAOYSA-N
Compound name
1,7-bis[di(propan-2-yl)amino]-3,5-diphenyl-3,5-dipyridin-2-ylheptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.42975 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.43703 254.2
[M+Na]+ 641.41897 264.3
[M+NH4]+ 636.46357 258.2
[M+K]+ 657.39291 257.7
[M-H]- 617.42247 261.4
[M+Na-2H]- 639.40442 264.4
[M]+ 618.42920 257.8
[M]- 618.43030 257.8
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.