CID 3079008

2h-1-benzopyran, 7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-

Structural Information

Molecular Formula
C27H26O3
SMILES
CC1(C(=C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OCC=C)C4=CC=CC=C4)C
InChI
InChI=1S/C27H26O3/c1-5-17-29-21-13-11-19(12-14-21)25-23-16-15-22(28-4)18-24(23)30-27(2,3)26(25)20-9-7-6-8-10-20/h5-16,18H,1,17H2,2-4H3
InChIKey
DMQBARJBKYJCSC-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethyl-3-phenyl-4-(4-prop-2-enoxyphenyl)chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1882 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19548 200.8
[M+Na]+ 421.17742 209.1
[M-H]- 397.18092 212.0
[M+NH4]+ 416.22202 213.3
[M+K]+ 437.15136 204.3
[M+H-H2O]+ 381.18546 189.8
[M+HCOO]- 443.18640 219.8
[M+CH3COO]- 457.20205 211.0
[M+Na-2H]- 419.16287 204.0
[M]+ 398.18765 204.9
[M]- 398.18875 204.9
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.