CID 10826725

1-benzyl-5-nitro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
InChI
InChI=1S/C15H10N2O4/c18-14-12-8-11(17(20)21)6-7-13(12)16(15(14)19)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
KRWGZAGTABTYNO-UHFFFAOYSA-N
Compound name
1-benzyl-5-nitroindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

282.06406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 161.2
[M+Na]+ 305.053278 169.5
[M-H]- 281.056784 168.3
[M+NH4]+ 300.097883 177.5
[M+K]+ 321.027218 161.3
[M+H-H2O]+ 265.061320 157.9
[M+HCOO]- 327.062261 184.7
[M+CH3COO]- 341.077911 193.9
[M+Na-2H]- 303.038726 167.1
[M]+ 282.06351142 160.8
[M]- 282.06460858 160.8
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