CID 453615

136723-27-8

Structural Information

Molecular Formula
C15H20N2
SMILES
CCCN1CC2=C3C(=CNC3=CC=C2)CC1C
InChI
InChI=1S/C15H20N2/c1-3-7-17-10-12-5-4-6-14-15(12)13(9-16-14)8-11(17)2/h4-6,9,11,16H,3,7-8,10H2,1-2H3
InChIKey
JUUWHTWSYWGMDK-UHFFFAOYSA-N
Compound name
11-methyl-10-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 153.5
[M+Na]+ 251.15186 161.7
[M-H]- 227.15536 156.1
[M+NH4]+ 246.19646 172.1
[M+K]+ 267.12580 159.3
[M+H-H2O]+ 211.15990 147.0
[M+HCOO]- 273.16084 170.8
[M+CH3COO]- 287.17649 165.0
[M+Na-2H]- 249.13731 158.3
[M]+ 228.16209 151.7
[M]- 228.16319 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.