CID 135684213

302917-82-4

Structural Information

Molecular Formula
C21H19N5O2
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N5O2/c1-2-28-20-10-6-4-8-16(20)18-11-19(25-24-18)21(27)26-23-13-14-12-22-17-9-5-3-7-15(14)17/h3-13,22H,2H2,1H3,(H,24,25)(H,26,27)/b23-13+
InChIKey
YUDMDQWSCUCRNE-YDZHTSKRSA-N
Compound name
3-(2-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 188.4
[M+Na]+ 396.14309 200.7
[M+NH4]+ 391.18769 194.1
[M+K]+ 412.11703 197.4
[M-H]- 372.14659 192.7
[M+Na-2H]- 394.12854 196.3
[M]+ 373.15332 191.1
[M]- 373.15442 191.1
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.