CID 2119468

1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-14(2)23-18-10-8-15(9-11-18)19-16(13-22)12-21(20-19)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKey
OCZGCMFPLUPIRT-UHFFFAOYSA-N
Compound name
1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.2
[M+Na]+ 329.12606 180.4
[M-H]- 305.12956 179.8
[M+NH4]+ 324.17066 185.9
[M+K]+ 345.10000 175.5
[M+H-H2O]+ 289.13410 162.3
[M+HCOO]- 351.13504 193.9
[M+CH3COO]- 365.15069 205.6
[M+Na-2H]- 327.11151 173.9
[M]+ 306.13629 174.8
[M]- 306.13739 174.8
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.