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]+ 294.196476 173.8
[M+Na]+ 316.178418 180.0
[M-H]- 292.181924 177.6
[M+NH4]+ 311.223023 187.6
[M+K]+ 332.152358 175.6
[M+H-H2O]+ 276.186460 164.2
[M+HCOO]- 338.187401 185.6
[M+CH3COO]- 352.203051 182.3
[M+Na-2H]- 314.163866 174.1
[M]+ 293.18865142 165.0
[M]- 293.18974858 165.0
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.