CID 9840076

Ag14361

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

146
Patents

320.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 178.5
[M+Na]+ 343.15292 186.8
[M-H]- 319.15642 184.5
[M+NH4]+ 338.19752 192.1
[M+K]+ 359.12686 184.6
[M+H-H2O]+ 303.16096 168.9
[M+HCOO]- 365.16190 196.2
[M+CH3COO]- 379.17755 188.6
[M+Na-2H]- 341.13837 182.4
[M]+ 320.16315 177.7
[M]- 320.16425 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

literature stripe

Patent stripe

patents stripe