CID 6030423

303095-22-9

Structural Information

Molecular Formula
C19H21N5O
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CN3C
InChI
InChI=1S/C19H21N5O/c1-13(2)15-8-6-14(7-9-15)12-20-23-19(25)17-11-16(21-22-17)18-5-4-10-24(18)3/h4-13H,1-3H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
VAUZQBNADQXJIY-UDWIEESQSA-N
Compound name
3-(1-methylpyrrol-2-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.17462 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 179.9
[M+Na]+ 358.16384 187.2
[M-H]- 334.16734 187.3
[M+NH4]+ 353.20844 192.4
[M+K]+ 374.13778 181.9
[M+H-H2O]+ 318.17188 169.5
[M+HCOO]- 380.17282 203.8
[M+CH3COO]- 394.18847 214.8
[M+Na-2H]- 356.14929 180.2
[M]+ 335.17407 181.4
[M]- 335.17517 181.4
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.