CID 3078810

122807-53-8

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC1CC(=O)N(C2=CC=CC3=C2N1C(=C3C4=CC=CC=C4)C)CCCN(C)C
InChI
InChI=1S/C24H29N3O/c1-17-16-22(28)26(15-9-14-25(3)4)21-13-8-12-20-23(18(2)27(17)24(20)21)19-10-6-5-7-11-19/h5-8,10-13,17H,9,14-16H2,1-4H3
InChIKey
VMTJXSZVBPAGRL-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-2,12-dimethyl-3-phenyl-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 196.9
[M+Na]+ 398.220268 204.9
[M-H]- 374.223774 205.2
[M+NH4]+ 393.264873 210.8
[M+K]+ 414.194208 202.9
[M+H-H2O]+ 358.228310 188.0
[M+HCOO]- 420.229251 215.5
[M+CH3COO]- 434.244901 206.7
[M+Na-2H]- 396.205716 197.1
[M]+ 375.23050142 199.4
[M]- 375.23159858 199.4
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.