CID 368091

Mls002701682

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C24H22N2O2/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23/h3-6,8-13H,7,14-15H2,1-2H3
InChIKey
RSMAEBFKDMVQPJ-UHFFFAOYSA-N
Compound name
12-[3-(dimethylamino)propyl]-3-oxa-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5,7,9,14,16,18,20-nonaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

370.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 189.0
[M+Na]+ 393.15734 207.5
[M+NH4]+ 388.20194 199.0
[M+K]+ 409.13128 198.8
[M-H]- 369.16084 196.3
[M+Na-2H]- 391.14279 195.8
[M]+ 370.16757 194.2
[M]- 370.16867 194.2
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