CID 256313

Benzenamine, 4-(2,4-cyclopentadien-1-ylidenemethyl)-2,5-dimethoxy-n,n-dimethyl-

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN(C)C1=C(C=C(C(=C1)OC)C=C2C=CC=C2)OC
InChI
InChI=1S/C16H19NO2/c1-17(2)14-11-15(18-3)13(10-16(14)19-4)9-12-7-5-6-8-12/h5-11H,1-4H3
InChIKey
QTAGYSMBABXFNS-UHFFFAOYSA-N
Compound name
4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,5-dimethoxy-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.7
[M+Na]+ 280.13079 167.7
[M-H]- 256.13429 168.4
[M+NH4]+ 275.17539 179.2
[M+K]+ 296.10473 165.3
[M+H-H2O]+ 240.13883 152.5
[M+HCOO]- 302.13977 186.4
[M+CH3COO]- 316.15542 202.2
[M+Na-2H]- 278.11624 161.8
[M]+ 257.14102 164.1
[M]- 257.14212 164.1
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.