CID 752812

89159-60-4

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKey
GNJUKVGDCUKDLF-UHFFFAOYSA-N
Compound name
(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 161.9
[M+Na]+ 305.08965 177.9
[M+NH4]+ 300.13425 170.3
[M+K]+ 321.06359 174.7
[M-H]- 281.09315 167.3
[M+Na-2H]- 303.07510 169.9
[M]+ 282.09988 165.7
[M]- 282.10098 165.7
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