CID 77283237

1373116-04-1

Structural Information

Molecular Formula
C25H36F2N2OSi
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(C2=C1N=CC=C2)N)C3=C(C(=CC=C3)F)F
InChI
InChI=1S/C25H36F2N2OSi/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)24(28)20-10-8-14-29-25(20)22/h7-11,14-17,19,22,24H,12-13,28H2,1-6H3
InChIKey
SNGLNEOTYPIRQO-UHFFFAOYSA-N
Compound name
6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.2565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.26378 205.0
[M+Na]+ 469.24572 212.2
[M+NH4]+ 464.29032 209.4
[M+K]+ 485.21966 207.8
[M-H]- 445.24922 205.4
[M+Na-2H]- 467.23117 207.2
[M]+ 446.25595 206.0
[M]- 446.25705 206.0
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.