CID 5351197

4-(1h-inden-1-ylidenemethyl)-n,n-dimethylbenzenamine

Structural Information

Molecular Formula
C18H17N
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C=CC3=CC=CC=C32
InChI
InChI=1S/C18H17N/c1-19(2)17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)16/h3-13H,1-2H3/b16-13-
InChIKey
HXVZHTQDVDNJMN-SSZFMOIBSA-N
Compound name
4-[(Z)-inden-1-ylidenemethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

170
Patents

247.1361 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14338 157.9
[M+Na]+ 270.12532 165.7
[M-H]- 246.12882 167.1
[M+NH4]+ 265.16992 178.5
[M+K]+ 286.09926 160.9
[M+H-H2O]+ 230.13336 150.5
[M+HCOO]- 292.13430 183.4
[M+CH3COO]- 306.14995 171.2
[M+Na-2H]- 268.11077 162.4
[M]+ 247.13555 158.5
[M]- 247.13665 158.5
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

patents stripe