CID 3076375

Brn 4763752

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC(C)OC1=CC=C(C=C1)C2=C3COC(CC3=NN2C4=CC=CC=C4)(C)C
InChI
InChI=1S/C23H26N2O2/c1-16(2)27-19-12-10-17(11-13-19)22-20-15-26-23(3,4)14-21(20)24-25(22)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3
InChIKey
XWOJKEVORNWXTD-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-phenyl-3-(4-propan-2-yloxyphenyl)-4,7-dihydropyrano[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.206706 190.0
[M+Na]+ 385.188648 197.6
[M-H]- 361.192154 198.6
[M+NH4]+ 380.233253 203.1
[M+K]+ 401.162588 193.5
[M+H-H2O]+ 345.196690 179.6
[M+HCOO]- 407.197631 206.0
[M+CH3COO]- 421.213281 200.0
[M+Na-2H]- 383.174096 191.0
[M]+ 362.19888142 191.7
[M]- 362.19997858 191.7
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.