CID 3442050

159212-50-7

Structural Information

Molecular Formula
C16H13N3O3
SMILES
C1=CC=C(C=C1)CN=CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H13N3O3/c20-16-14(10-17-9-11-4-2-1-3-5-11)13-8-12(19(21)22)6-7-15(13)18-16/h1-8,10,18,20H,9H2
InChIKey
QHCXTJNJIGXXAU-UHFFFAOYSA-N
Compound name
3-(benzyliminomethyl)-5-nitro-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 164.7
[M+Na]+ 318.08492 179.1
[M+NH4]+ 313.12952 172.2
[M+K]+ 334.05886 176.0
[M-H]- 294.08842 169.9
[M+Na-2H]- 316.07037 172.5
[M]+ 295.09515 168.0
[M]- 295.09625 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.