CID 6436788

Nsc 114858

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 166.8
[M+Na]+ 334.02016 172.0
[M+NH4]+ 329.06476 173.0
[M+K]+ 349.99410 170.2
[M-H]- 310.02366 170.9
[M+Na-2H]- 332.00561 171.9
[M]+ 311.03039 167.7
[M]- 311.03149 167.7
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.