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

42
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 203.2
[M+Na]+ 424.16720 213.0
[M-H]- 400.17070 216.6
[M+NH4]+ 419.21180 213.7
[M+K]+ 440.14114 204.9
[M+H-H2O]+ 384.17524 191.8
[M+HCOO]- 446.17618 224.4
[M+CH3COO]- 460.19183 213.6
[M+Na-2H]- 422.15265 204.8
[M]+ 401.17743 206.0
[M]- 401.17853 206.0
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

patents stripe