CID 6436786

Nsc 103749

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]+ 276.13828 165.7
[M+Na]+ 298.12022 172.9
[M-H]- 274.12372 174.8
[M+NH4]+ 293.16482 184.9
[M+K]+ 314.09416 168.4
[M+H-H2O]+ 258.12826 158.0
[M+HCOO]- 320.12920 190.1
[M+CH3COO]- 334.14485 204.9
[M+Na-2H]- 296.10567 168.4
[M]+ 275.13045 166.6
[M]- 275.13155 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.