CID 3038959

42021-30-7

Structural Information

Molecular Formula
C20H30N4
SMILES
CCN(CC)CCN1CCN2CC3=C(CC2C1)C4=CC=CC=C4N3
InChI
InChI=1S/C20H30N4/c1-3-22(4-2)9-10-23-11-12-24-15-20-18(13-16(24)14-23)17-7-5-6-8-19(17)21-20/h5-8,16,21H,3-4,9-15H2,1-2H3
InChIKey
GTNLAARTSZIFFQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.24704 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25432 181.1
[M+Na]+ 349.23626 186.0
[M-H]- 325.23976 181.7
[M+NH4]+ 344.28086 195.5
[M+K]+ 365.21020 179.7
[M+H-H2O]+ 309.24430 170.7
[M+HCOO]- 371.24524 193.6
[M+CH3COO]- 385.26089 189.0
[M+Na-2H]- 347.22171 183.5
[M]+ 326.24649 178.7
[M]- 326.24759 178.7
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.