CID 11779129

1-phenyl-5-[(e)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]pyrazole

Structural Information

Molecular Formula
C20H24N2
SMILES
CC1=CCCC(C1/C=C/C2=CC=NN2C3=CC=CC=C3)(C)C
InChI
InChI=1S/C20H24N2/c1-16-8-7-14-20(2,3)19(16)12-11-18-13-15-21-22(18)17-9-5-4-6-10-17/h4-6,8-13,15,19H,7,14H2,1-3H3/b12-11+
InChIKey
SBPUKXAKZOVQIO-VAWYXSNFSA-N
Compound name
1-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 172.1
[M+Na]+ 315.18316 179.6
[M-H]- 291.18666 179.1
[M+NH4]+ 310.22776 188.7
[M+K]+ 331.15710 173.4
[M+H-H2O]+ 275.19120 162.4
[M+HCOO]- 337.19214 191.5
[M+CH3COO]- 351.20779 183.1
[M+Na-2H]- 313.16861 173.4
[M]+ 292.19339 170.3
[M]- 292.19449 170.3
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

No patent data available for this compound.