CID 3051809

1h-pyrrolo(1,2,3-de)quinoxalin-2(3h)-one, 1-(2-(diethylamino)ethyl)-5-methyl-6-phenyl-

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]+ 362.222696 191.6
[M+Na]+ 384.204638 199.5
[M-H]- 360.208144 198.0
[M+NH4]+ 379.249243 206.2
[M+K]+ 400.178578 193.5
[M+H-H2O]+ 344.212680 181.2
[M+HCOO]- 406.213621 210.7
[M+CH3COO]- 420.229271 201.6
[M+Na-2H]- 382.190086 193.3
[M]+ 361.21487142 196.4
[M]- 361.21596858 196.4
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.