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]+ 376.23833 196.9
[M+Na]+ 398.22027 204.9
[M-H]- 374.22377 205.2
[M+NH4]+ 393.26487 210.8
[M+K]+ 414.19421 202.9
[M+H-H2O]+ 358.22831 188.0
[M+HCOO]- 420.22925 215.5
[M+CH3COO]- 434.24490 206.7
[M+Na-2H]- 396.20572 197.1
[M]+ 375.23050 199.4
[M]- 375.23160 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.