CID 3051746

Brn 0840801

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCN(CC)CCN1C(=O)CN2C3=C(CCCC3)C4=C2C1=CC=C4
InChI
InChI=1S/C20H27N3O/c1-3-21(4-2)12-13-22-18-11-7-9-16-15-8-5-6-10-17(15)23(20(16)18)14-19(22)24/h7,9,11H,3-6,8,10,12-14H2,1-2H3
InChIKey
SCJKLBNWGKQSQJ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)ethyl]-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 180.1
[M+Na]+ 348.20464 186.3
[M-H]- 324.20814 183.2
[M+NH4]+ 343.24924 197.0
[M+K]+ 364.17858 181.2
[M+H-H2O]+ 308.21268 170.6
[M+HCOO]- 370.21362 195.7
[M+CH3COO]- 384.22927 189.6
[M+Na-2H]- 346.19009 182.7
[M]+ 325.21487 181.8
[M]- 325.21597 181.8
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.