CID 24906291

163655-37-6

Structural Information

Molecular Formula
C21H18N2O
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)C=C3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24)
InChIKey
VFCXONOPGCDDBQ-UHFFFAOYSA-N
Compound name
3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

646
Patents

314.1419 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14918 175.0
[M+Na]+ 337.13112 183.1
[M-H]- 313.13462 182.3
[M+NH4]+ 332.17572 191.7
[M+K]+ 353.10506 176.2
[M+H-H2O]+ 297.13916 166.3
[M+HCOO]- 359.14010 195.0
[M+CH3COO]- 373.15575 186.0
[M+Na-2H]- 335.11657 177.9
[M]+ 314.14135 173.9
[M]- 314.14245 173.9
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