CID 162679554

Yct529

Structural Information

Molecular Formula
C29H25NO3
SMILES
CC1=CC=C(C=C1)C2=CC(OC3=C2C=C(C=C3)C4=CC=C(N4)C5=CC=C(C=C5)C(=O)O)(C)C
InChI
InChI=1S/C29H25NO3/c1-18-4-6-19(7-5-18)24-17-29(2,3)33-27-15-12-22(16-23(24)27)26-14-13-25(30-26)20-8-10-21(11-9-20)28(31)32/h4-17,30H,1-3H3,(H,31,32)
InChIKey
QLXSCDXZOYRDAX-UHFFFAOYSA-N
Compound name
4-[5-[2,2-dimethyl-4-(4-methylphenyl)chromen-6-yl]-1H-pyrrol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

435.18344 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19072 208.6
[M+Na]+ 458.17266 226.0
[M+NH4]+ 453.21726 217.7
[M+K]+ 474.14660 216.8
[M-H]- 434.17616 218.0
[M+Na-2H]- 456.15811 219.1
[M]+ 435.18289 214.3
[M]- 435.18399 214.3
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