CID 6888270

303107-88-2

Structural Information

Molecular Formula
C26H25N5O2
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CC=C3OCC4=CC=CC=C4
InChI
InChI=1S/C26H25N5O2/c1-31(2)21-14-12-19(13-15-21)17-27-30-26(32)24-16-23(28-29-24)22-10-6-7-11-25(22)33-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,28,29)(H,30,32)/b27-17+
InChIKey
BQPFODJNSUILDE-WPWMEQJKSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.20084 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20812 208.9
[M+Na]+ 462.19006 221.8
[M+NH4]+ 457.23466 214.6
[M+K]+ 478.16400 215.4
[M-H]- 438.19356 217.1
[M+Na-2H]- 460.17551 220.0
[M]+ 439.20029 212.9
[M]- 439.20139 212.9
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.