CID 202657

I.s. 3360

Structural Information

Molecular Formula
C36H54N4O2
SMILES
CC(=O)N1CCC[N+]2(CCC(CC2)(CN(CCC[N+]3(CCC(C1)(CC3)C4=CC=CC=C4)C)C(=O)C)C5=CC=CC=C5)C
InChI
InChI=1S/C36H54N4O2/c1-31(41)37-21-11-23-39(3)27-19-36(20-28-39,34-15-9-6-10-16-34)30-38(32(2)42)22-12-24-40(4)25-17-35(29-37,18-26-40)33-13-7-5-8-14-33/h5-10,13-16H,11-12,17-30H2,1-4H3/q+2
InChIKey
NNERQMQZUQKFNY-UHFFFAOYSA-N
Compound name
1-(14-acetyl-1,10-dimethyl-7,16-diphenyl-5,14-diaza-1,10-diazoniatricyclo[14.2.2.27,10]docosan-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.4247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.43198 223.9
[M+Na]+ 597.41392 232.3
[M+NH4]+ 592.45852 234.7
[M+K]+ 613.38786 218.7
[M-H]- 573.41742 221.2
[M+Na-2H]- 595.39937 218.0
[M]+ 574.42415 224.6
[M]- 574.42525 224.6
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.