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]+ 267.185556 164.9
[M+Na]+ 289.167498 173.9
[M-H]- 265.171004 167.6
[M+NH4]+ 284.212103 184.4
[M+K]+ 305.141438 167.6
[M+H-H2O]+ 249.175540 156.3
[M+HCOO]- 311.176481 180.9
[M+CH3COO]- 325.192131 176.0
[M+Na-2H]- 287.152946 169.4
[M]+ 266.17773142 166.2
[M]- 266.17882858 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