CID 71813529

Pmid27998201-compound-10

Structural Information

Molecular Formula
C27H29N3O
SMILES
CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N(C)N(C)C#N
InChI
InChI=1S/C27H29N3O/c1-20(2)17-26(27(31)30(4)29(3)19-28)25-12-8-11-24(18-25)23-15-13-22(14-16-23)21-9-6-5-7-10-21/h5-16,18,20,26H,17H2,1-4H3
InChIKey
VUAQQIIYDSXRAP-UHFFFAOYSA-N
Compound name
methyl-[methyl-[4-methyl-2-[3-(4-phenylphenyl)phenyl]pentanoyl]amino]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.23105 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23833 212.7
[M+Na]+ 434.22027 217.3
[M-H]- 410.22377 220.7
[M+NH4]+ 429.26487 221.0
[M+K]+ 450.19421 211.4
[M+H-H2O]+ 394.22831 195.2
[M+HCOO]- 456.22925 229.9
[M+CH3COO]- 470.24490 245.6
[M+Na-2H]- 432.20572 209.4
[M]+ 411.23050 208.1
[M]- 411.23160 208.1
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.