CID 6436786

P-acetotoluidide, alpha-inden-1-ylidene-n-methyl-

Structural Information

Molecular Formula
C19H17NO
SMILES
CC(=O)N(C)C1=CC=C(C=C1)/C=C\2/C=CC3=CC=CC=C32
InChI
InChI=1S/C19H17NO/c1-14(21)20(2)18-11-7-15(8-12-18)13-17-10-9-16-5-3-4-6-19(16)17/h3-13H,1-2H3/b17-13-
InChIKey
UZVJZFXQATXAHK-LGMDPLHJSA-N
Compound name
N-[4-[(Z)-inden-1-ylidenemethyl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.131 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.138276 165.7
[M+Na]+ 298.120218 172.9
[M-H]- 274.123724 174.8
[M+NH4]+ 293.164823 184.9
[M+K]+ 314.094158 168.4
[M+H-H2O]+ 258.128260 158.0
[M+HCOO]- 320.129201 190.1
[M+CH3COO]- 334.144851 204.9
[M+Na-2H]- 296.105666 168.4
[M]+ 275.13045142 166.6
[M]- 275.13154858 166.6
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.