CID 135688597

3-(3-ethoxyphenyl)-n'-(1h-indol-3-ylmethylene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N5O2/c1-2-28-16-7-5-6-14(10-16)19-11-20(25-24-19)21(27)26-23-13-15-12-22-18-9-4-3-8-17(15)18/h3-13,22H,2H2,1H3,(H,24,25)(H,26,27)/b23-13+
InChIKey
MBKBJAGLVKNYJL-YDZHTSKRSA-N
Compound name
3-(3-ethoxyphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15387 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 184.9
[M+Na]+ 396.14309 192.2
[M-H]- 372.14659 191.8
[M+NH4]+ 391.18769 195.9
[M+K]+ 412.11703 185.4
[M+H-H2O]+ 356.15113 174.5
[M+HCOO]- 418.15207 207.5
[M+CH3COO]- 432.16772 194.5
[M+Na-2H]- 394.12854 188.1
[M]+ 373.15332 186.0
[M]- 373.15442 186.0
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.