CID 33698

27087-86-1

Structural Information

Molecular Formula
C19H23N3
SMILES
CC1=NC2=C(N1)CCC3=CC=CC=C3C2=C4CCN(CC4)C
InChI
InChI=1S/C19H23N3/c1-13-20-17-8-7-14-5-3-4-6-16(14)18(19(17)21-13)15-9-11-22(2)12-10-15/h3-6H,7-12H2,1-2H3,(H,20,21)
InChIKey
ZHYYLOKVHHVUON-UHFFFAOYSA-N
Compound name
5-methyl-2-(1-methylpiperidin-4-ylidene)-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19648 174.0
[M+Na]+ 316.17842 185.2
[M+NH4]+ 311.22302 181.8
[M+K]+ 332.15236 179.9
[M-H]- 292.18192 177.0
[M+Na-2H]- 314.16387 178.2
[M]+ 293.18865 176.4
[M]- 293.18975 176.4
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.