CID 3057659

74116-93-1

Structural Information

Molecular Formula
C22H27N3O
SMILES
CC1C2=CC=CC3=C2N(CC3)C4=CC=CC=C4N1C(=O)CCCN(C)C
InChI
InChI=1S/C22H27N3O/c1-16-18-9-6-8-17-13-15-24(22(17)18)19-10-4-5-11-20(19)25(16)21(26)12-7-14-23(2)3/h4-6,8-11,16H,7,12-15H2,1-3H3
InChIKey
RYUKJZOXLVPYBF-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.21542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 183.3
[M+Na]+ 372.20464 193.5
[M+NH4]+ 367.24924 190.9
[M+K]+ 388.17858 188.9
[M-H]- 348.20814 185.6
[M+Na-2H]- 370.19009 185.8
[M]+ 349.21487 185.4
[M]- 349.21597 185.4
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

patents stripe