CID 24839612

94831-73-9

Structural Information

Molecular Formula
C18H22N2
SMILES
CCC1C=CN2C3=CC=CC=C3C4=C2C1N(CC4)CC
InChI
InChI=1S/C18H22N2/c1-3-13-9-12-20-16-8-6-5-7-14(16)15-10-11-19(4-2)17(13)18(15)20/h5-9,12-13,17H,3-4,10-11H2,1-2H3
InChIKey
MIDOUPMQFRJCPW-UHFFFAOYSA-N
Compound name
4,6-diethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,9(16),10,12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 164.9
[M+Na]+ 289.16750 173.9
[M-H]- 265.17100 167.6
[M+NH4]+ 284.21210 184.4
[M+K]+ 305.14144 167.6
[M+H-H2O]+ 249.17554 156.3
[M+HCOO]- 311.17648 180.9
[M+CH3COO]- 325.19213 176.0
[M+Na-2H]- 287.15295 169.4
[M]+ 266.17773 166.2
[M]- 266.17883 166.2
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

patents stripe