CID 6869472

Mls000769060

Structural Information

Molecular Formula
C19H19N5O
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CN3C
InChI
InChI=1S/C19H19N5O/c1-14(11-15-7-4-3-5-8-15)13-20-23-19(25)17-12-16(21-22-17)18-9-6-10-24(18)2/h3-13H,1-2H3,(H,21,22)(H,23,25)/b14-11+,20-13+
InChIKey
WXCPVGSUCJEGEE-NKSMKPMTSA-N
Compound name
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

333.15897 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 179.5
[M+Na]+ 356.14819 190.6
[M+NH4]+ 351.19279 184.7
[M+K]+ 372.12213 187.9
[M-H]- 332.15169 183.1
[M+Na-2H]- 354.13364 187.5
[M]+ 333.15842 181.6
[M]- 333.15952 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.