CID 3044324

Brn 0447156

Structural Information

Molecular Formula
C21H17BrN2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=C(C4=CC=CC=C4N3)OCCBr
InChI
InChI=1S/C21H17BrN2O2/c22-11-12-26-20-17-7-3-4-8-18(17)24-19(20)21(25)23-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,24H,11-12H2,(H,23,25)
InChIKey
ODHFKDVAKLLBEC-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-N-naphthalen-2-yl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.04733 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05461 190.2
[M+Na]+ 431.03655 200.5
[M-H]- 407.04005 198.6
[M+NH4]+ 426.08115 205.9
[M+K]+ 447.01049 187.0
[M+H-H2O]+ 391.04459 187.9
[M+HCOO]- 453.04553 209.0
[M+CH3COO]- 467.06118 201.7
[M+Na-2H]- 429.02200 195.8
[M]+ 408.04678 210.1
[M]- 408.04788 210.1
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.