CID 172866248

Ro5027838

Structural Information

Molecular Formula
C15H20N2
SMILES
C[C@]12CC[C@@H](C1(C)C)C3=CC(=NN=C23)C4CC4
InChI
InChI=1S/C15H20N2/c1-14(2)11-6-7-15(14,3)13-10(11)8-12(16-17-13)9-4-5-9/h8-9,11H,4-7H2,1-3H3/t11-,15-/m1/s1
InChIKey
BSFLCKBWXRSZEJ-IAQYHMDHSA-N
Compound name
(1S,8S)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.169916 159.5
[M+Na]+ 251.151858 171.7
[M-H]- 227.155364 165.0
[M+NH4]+ 246.196463 180.3
[M+K]+ 267.125798 166.8
[M+H-H2O]+ 211.159900 153.4
[M+HCOO]- 273.160841 176.6
[M+CH3COO]- 287.176491 171.9
[M+Na-2H]- 249.137306 163.1
[M]+ 228.16209142 163.3
[M]- 228.16318858 163.3
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.