CID 3516137

Dtxsid201193367

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CN1C(C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)CO
InChI
InChI=1S/C16H16N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,15-16,19H,10H2,1H3
InChIKey
JTUXNMHPTGOCBQ-UHFFFAOYSA-N
Compound name
(1-methyl-5-nitro-3-phenyl-2,3-dihydroindol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.4
[M+Na]+ 307.10532 171.5
[M-H]- 283.10882 169.9
[M+NH4]+ 302.14992 180.2
[M+K]+ 323.07926 162.8
[M+H-H2O]+ 267.11336 161.3
[M+HCOO]- 329.11430 185.5
[M+CH3COO]- 343.12995 194.0
[M+Na-2H]- 305.09077 169.2
[M]+ 284.11555 162.6
[M]- 284.11665 162.6
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.