CID 482836

2-[(3-nitro-2-phenyl-indol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C17H16N2O4
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2COCCO)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O4/c20-10-11-23-12-18-15-9-5-4-8-14(15)17(19(21)22)16(18)13-6-2-1-3-7-13/h1-9,20H,10-12H2
InChIKey
QAEHMKQHPWXWPW-UHFFFAOYSA-N
Compound name
2-[(3-nitro-2-phenylindol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.3
[M+Na]+ 335.10022 177.6
[M-H]- 311.10372 175.9
[M+NH4]+ 330.14482 184.6
[M+K]+ 351.07416 169.0
[M+H-H2O]+ 295.10826 166.3
[M+HCOO]- 357.10920 194.0
[M+CH3COO]- 371.12485 197.4
[M+Na-2H]- 333.08567 177.2
[M]+ 312.11045 172.5
[M]- 312.11155 172.5
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.