CID 6441624

Wa3sy46wlq

Structural Information

Molecular Formula
C29H23NO
SMILES
CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C29H23NO/c1-20-18-21(2)28-27(19-20)30-29(31-28)26-16-12-23(13-17-26)9-8-22-10-14-25(15-11-22)24-6-4-3-5-7-24/h3-19H,1-2H3/b9-8+
InChIKey
PQKKXHAZEZTNFG-CMDGGOBGSA-N
Compound name
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

401.17798 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18526 201.8
[M+Na]+ 424.16720 222.9
[M+NH4]+ 419.21180 211.4
[M+K]+ 440.14114 212.1
[M-H]- 400.17070 213.5
[M+Na-2H]- 422.15265 214.8
[M]+ 401.17743 208.8
[M]- 401.17853 208.8
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

patents stripe