CID 3051809

Brn 0767054

Structural Information

Molecular Formula
C23H27N3O
SMILES
CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H27N3O/c1-4-24(5-2)14-15-25-20-13-9-12-19-22(18-10-7-6-8-11-18)17(3)26(23(19)20)16-21(25)27/h6-13H,4-5,14-16H2,1-3H3
InChIKey
YNPGQXIWFXMPSI-UHFFFAOYSA-N
Compound name
9-[2-(diethylamino)ethyl]-2-methyl-3-phenyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 189.5
[M+Na]+ 384.20464 204.5
[M+NH4]+ 379.24924 198.1
[M+K]+ 400.17858 196.8
[M-H]- 360.20814 194.5
[M+Na-2H]- 382.19009 195.6
[M]+ 361.21487 193.2
[M]- 361.21597 193.2
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

No patent data available for this compound.