CID 372578

Nsc647938

Structural Information

Molecular Formula
C28H30N2O2
SMILES
CN(CCCC1(C2=CC=CC=C2C3=CC=CC=C31)C#N)CCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C28H30N2O2/c1-30(18-15-21-13-14-26(31-2)27(19-21)32-3)17-8-16-28(20-29)24-11-6-4-9-22(24)23-10-5-7-12-25(23)28/h4-7,9-14,19H,8,15-18H2,1-3H3
InChIKey
PVQFFRMLRRIZTC-UHFFFAOYSA-N
Compound name
9-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]fluorene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23802 213.2
[M+Na]+ 449.21996 223.3
[M-H]- 425.22346 220.2
[M+NH4]+ 444.26456 227.3
[M+K]+ 465.19390 212.7
[M+H-H2O]+ 409.22800 197.4
[M+HCOO]- 471.22894 230.9
[M+CH3COO]- 485.24459 242.4
[M+Na-2H]- 447.20541 213.7
[M]+ 426.23019 213.9
[M]- 426.23129 213.9
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.