CID 6445108

21889-12-3

Structural Information

Molecular Formula
C27H26N2O
SMILES
CN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/C4=CC=CC=C24)C
InChI
InChI=1S/C27H26N2O/c1-28(2)21-13-9-19(10-14-21)17-25-23-7-5-6-8-24(23)26(27(25)30)18-20-11-15-22(16-12-20)29(3)4/h5-18H,1-4H3/b25-17+,26-18+
InChIKey
LBXCRCFJZWEKDF-RPCRKUJJSA-N
Compound name
(1E,3E)-1,3-bis[[4-(dimethylamino)phenyl]methylidene]inden-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.2045 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21178 199.9
[M+Na]+ 417.19372 206.1
[M-H]- 393.19722 213.0
[M+NH4]+ 412.23832 214.4
[M+K]+ 433.16766 200.1
[M+H-H2O]+ 377.20176 189.9
[M+HCOO]- 439.20270 223.8
[M+CH3COO]- 453.21835 235.2
[M+Na-2H]- 415.17917 198.4
[M]+ 394.20395 201.0
[M]- 394.20505 201.0
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.