CID 9862688

Sn-28049

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1=C2C(=CC=C1)C=C3C(=N2)C(=CN(C3=O)C)C(=O)NCCN(C)C
InChI
InChI=1S/C19H22N4O2/c1-12-6-5-7-13-10-14-17(21-16(12)13)15(11-23(4)19(14)25)18(24)20-8-9-22(2)3/h5-7,10-11H,8-9H2,1-4H3,(H,20,24)
InChIKey
CSMRPIFORJZYCJ-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2,6-dimethyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

14
Patents

338.1743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 181.5
[M+Na]+ 361.16352 191.3
[M-H]- 337.16702 186.4
[M+NH4]+ 356.20812 195.2
[M+K]+ 377.13746 186.9
[M+H-H2O]+ 321.17156 171.8
[M+HCOO]- 383.17250 203.1
[M+CH3COO]- 397.18815 223.7
[M+Na-2H]- 359.14897 187.3
[M]+ 338.17375 187.3
[M]- 338.17485 187.3
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