CID 400150

Nsc711645

Structural Information

Molecular Formula
C16H15BrN2O2
SMILES
C1=CC=C2C(=C1)C(=C(N2COCCO)C3=CC=CC=N3)Br
InChI
InChI=1S/C16H15BrN2O2/c17-15-12-5-1-2-7-14(12)19(11-21-10-9-20)16(15)13-6-3-4-8-18-13/h1-8,20H,9-11H2
InChIKey
UXFMAOVOPGCNPA-UHFFFAOYSA-N
Compound name
2-[(3-bromo-2-pyridin-2-ylindol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.03168 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03896 171.6
[M+Na]+ 369.02090 184.3
[M-H]- 345.02440 178.5
[M+NH4]+ 364.06550 188.5
[M+K]+ 384.99484 171.7
[M+H-H2O]+ 329.02894 169.9
[M+HCOO]- 391.02988 191.2
[M+CH3COO]- 405.04553 185.0
[M+Na-2H]- 367.00635 178.0
[M]+ 346.03113 193.9
[M]- 346.03223 193.9
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.