CID 135628865

303104-73-6

Structural Information

Molecular Formula
C24H25N5O
SMILES
CC1=C(C2=CC=CC=C2N1)/C=N/NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)CC(C)C
InChI
InChI=1S/C24H25N5O/c1-15(2)12-17-8-10-18(11-9-17)22-13-23(28-27-22)24(30)29-25-14-20-16(3)26-21-7-5-4-6-19(20)21/h4-11,13-15,26H,12H2,1-3H3,(H,27,28)(H,29,30)/b25-14+
InChIKey
PEFDHWLCGFBIPI-AFUMVMLFSA-N
Compound name
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2059 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21318 198.5
[M+Na]+ 422.19512 210.7
[M+NH4]+ 417.23972 204.1
[M+K]+ 438.16906 207.1
[M-H]- 398.19862 203.1
[M+Na-2H]- 420.18057 205.5
[M]+ 399.20535 201.3
[M]- 399.20645 201.3
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.