CID 377642

Nsc659221

Structural Information

Molecular Formula
C26H23NO3
SMILES
C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OCC=C
InChI
InChI=1S/C26H23NO3/c1-3-17-29-21-13-9-19(10-14-21)26(20-11-15-22(16-12-20)30-18-4-2)23-7-5-6-8-24(23)27-25(26)28/h3-16H,1-2,17-18H2,(H,27,28)
InChIKey
QFZZUHUTHLFBQN-UHFFFAOYSA-N
Compound name
3,3-bis(4-prop-2-enoxyphenyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17508 198.8
[M+Na]+ 420.15702 206.3
[M-H]- 396.16052 206.6
[M+NH4]+ 415.20162 212.0
[M+K]+ 436.13096 198.1
[M+H-H2O]+ 380.16506 188.6
[M+HCOO]- 442.16600 217.6
[M+CH3COO]- 456.18165 207.9
[M+Na-2H]- 418.14247 199.6
[M]+ 397.16725 199.8
[M]- 397.16835 199.8
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.