CID 515969

Chembl145830

Structural Information

Molecular Formula
C21H16N2O4
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CN3C4=C(C=C(C=C4)C(=O)N)C(=O)C3=O
InChI
InChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25)
InChIKey
QHDRHZHPVMYYGX-UHFFFAOYSA-N
Compound name
1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11828 183.8
[M+Na]+ 383.10022 193.1
[M-H]- 359.10372 191.4
[M+NH4]+ 378.14482 198.4
[M+K]+ 399.07416 187.8
[M+H-H2O]+ 343.10826 175.3
[M+HCOO]- 405.10920 203.7
[M+CH3COO]- 419.12485 220.1
[M+Na-2H]- 381.08567 184.8
[M]+ 360.11045 186.2
[M]- 360.11155 186.2
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

No patent data available for this compound.