CID 365113

Nsc632176

Structural Information

Molecular Formula
C28H26N2O2
SMILES
CN(C)C1=CC=C(C=C1)C(=CC=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C28H26N2O2/c1-29(2)21-13-9-19(10-14-21)23(20-11-15-22(16-12-20)30(3)4)17-18-26-27(31)24-7-5-6-8-25(24)28(26)32/h5-18H,1-4H3
InChIKey
XFBORPHFBOAQMY-UHFFFAOYSA-N
Compound name
2-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.19943 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20671 206.3
[M+Na]+ 445.18865 211.7
[M-H]- 421.19215 219.3
[M+NH4]+ 440.23325 219.3
[M+K]+ 461.16259 206.3
[M+H-H2O]+ 405.19669 196.2
[M+HCOO]- 467.19763 229.1
[M+CH3COO]- 481.21328 240.4
[M+Na-2H]- 443.17410 203.4
[M]+ 422.19888 207.8
[M]- 422.19998 207.8
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.