CID 4251129

1-ethyl-3-nitroso-2-phenylindole

Structural Information

Molecular Formula
C16H14N2O
SMILES
CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=O
InChI
InChI=1S/C16H14N2O/c1-2-18-14-11-7-6-10-13(14)15(17-19)16(18)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
HVIBJSFVJIMNAP-UHFFFAOYSA-N
Compound name
1-ethyl-3-nitroso-2-phenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 155.0
[M+Na]+ 273.09983 165.8
[M-H]- 249.10333 163.7
[M+NH4]+ 268.14443 174.5
[M+K]+ 289.07377 161.2
[M+H-H2O]+ 233.10787 146.8
[M+HCOO]- 295.10881 182.4
[M+CH3COO]- 309.12446 169.3
[M+Na-2H]- 271.08528 162.1
[M]+ 250.11006 159.4
[M]- 250.11116 159.4
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

patents stripe