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]+ 307.144116 172.2
[M+Na]+ 329.126058 180.4
[M-H]- 305.129564 179.8
[M+NH4]+ 324.170663 185.9
[M+K]+ 345.099998 175.5
[M+H-H2O]+ 289.134100 162.3
[M+HCOO]- 351.135041 193.9
[M+CH3COO]- 365.150691 205.6
[M+Na-2H]- 327.111506 173.9
[M]+ 306.13629142 174.8
[M]- 306.13738858 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.