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]+ 363.20671 190.0
[M+Na]+ 385.18865 197.6
[M-H]- 361.19215 198.6
[M+NH4]+ 380.23325 203.1
[M+K]+ 401.16259 193.5
[M+H-H2O]+ 345.19669 179.6
[M+HCOO]- 407.19763 206.0
[M+CH3COO]- 421.21328 200.0
[M+Na-2H]- 383.17410 191.0
[M]+ 362.19888 191.7
[M]- 362.19998 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.