CID 6436788

28164-41-2

Structural Information

Molecular Formula
C17H14BrN
SMILES
CNC1=C(C=C(C=C1)/C=C\2/C=CC3=CC=CC=C32)Br
InChI
InChI=1S/C17H14BrN/c1-19-17-9-6-12(11-16(17)18)10-14-8-7-13-4-2-3-5-15(13)14/h2-11,19H,1H3/b14-10-
InChIKey
SJZUDCRSPDTUAH-UVTDQMKNSA-N
Compound name
2-bromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.03094 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03822 167.8
[M+Na]+ 334.02016 179.5
[M-H]- 310.02366 178.1
[M+NH4]+ 329.06476 189.0
[M+K]+ 349.99410 165.9
[M+H-H2O]+ 294.02820 167.0
[M+HCOO]- 356.02914 190.4
[M+CH3COO]- 370.04479 182.1
[M+Na-2H]- 332.00561 173.4
[M]+ 311.03039 185.7
[M]- 311.03149 185.7
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.