CID 5288607

Indole naphthyridinone

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CN1C=C(C2=CC=CC=C21)CN(C)C(=O)/C=C/C3=CC4=C(NC(=O)CC4)N=C3
InChI
InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
InChIKey
VAZMNDXVXVUKFY-JXMROGBWSA-N
Compound name
(E)-N-methyl-N-[(1-methylindol-3-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

374.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 191.5
[M+Na]+ 397.16352 198.8
[M-H]- 373.16702 195.9
[M+NH4]+ 392.20812 202.7
[M+K]+ 413.13746 192.0
[M+H-H2O]+ 357.17156 180.9
[M+HCOO]- 419.17250 207.7
[M+CH3COO]- 433.18815 200.1
[M+Na-2H]- 395.14897 192.9
[M]+ 374.17375 191.8
[M]- 374.17485 191.8
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