CID 9840076

328543-09-5

Structural Information

Molecular Formula
C19H20N4O
SMILES
CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O
InChI
InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)
InChIKey
SEKJSSBJKFLZIT-UHFFFAOYSA-N
Compound name
2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

279
Patents

320.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.170976 178.5
[M+Na]+ 343.152918 186.8
[M-H]- 319.156424 184.5
[M+NH4]+ 338.197523 192.1
[M+K]+ 359.126858 184.6
[M+H-H2O]+ 303.160960 168.9
[M+HCOO]- 365.161901 196.2
[M+CH3COO]- 379.177551 188.6
[M+Na-2H]- 341.138366 182.4
[M]+ 320.16315142 177.7
[M]- 320.16424858 177.7
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.