CID 9647981

N'-{(e)-[4-(dimethylamino)phenyl]methylidene}-3-{2-[(4-methylbenzyl)oxy]phenyl}-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C27H27N5O2
SMILES
CC1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C27H27N5O2/c1-19-8-10-21(11-9-19)18-34-26-7-5-4-6-23(26)24-16-25(30-29-24)27(33)31-28-17-20-12-14-22(15-13-20)32(2)3/h4-17H,18H2,1-3H3,(H,29,30)(H,31,33)/b28-17+
InChIKey
REKKYLTYYVYSHX-OGLMXYFKSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[2-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.21646 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22374 210.8
[M+Na]+ 476.20568 214.9
[M-H]- 452.20918 222.3
[M+NH4]+ 471.25028 217.4
[M+K]+ 492.17962 209.1
[M+H-H2O]+ 436.21372 197.8
[M+HCOO]- 498.21466 234.5
[M+CH3COO]- 512.23031 242.7
[M+Na-2H]- 474.19113 211.7
[M]+ 453.21591 212.2
[M]- 453.21701 212.2
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.