CID 6436782

Nsc 82013

Structural Information

Molecular Formula
C17H15N
SMILES
CNC1=CC=C(C=C1)/C=C\2/C=CC3=CC=CC=C32
InChI
InChI=1S/C17H15N/c1-18-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12,18H,1H3/b15-12-
InChIKey
NGLDRQSSOKKORP-QINSGFPZSA-N
Compound name
4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.127726 152.6
[M+Na]+ 256.109668 160.8
[M-H]- 232.113174 160.5
[M+NH4]+ 251.154273 173.1
[M+K]+ 272.083608 154.8
[M+H-H2O]+ 216.117710 145.5
[M+HCOO]- 278.118651 177.9
[M+CH3COO]- 292.134301 165.8
[M+Na-2H]- 254.095116 158.5
[M]+ 233.11990142 151.6
[M]- 233.12099858 151.6
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.