CID 6877900

307975-69-5

Structural Information

Molecular Formula
C23H24N4O
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H24N4O/c1-17(2)15-19-10-12-20(13-11-19)21-16-22(26-25-21)23(28)27-24-14-6-9-18-7-4-3-5-8-18/h3-14,16-17H,15H2,1-2H3,(H,25,26)(H,27,28)/b9-6+,24-14+
InChIKey
BLHNWFRIQMRQNW-XWJCGCQVSA-N
Compound name
3-[4-(2-methylpropyl)phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.195 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20228 192.7
[M+Na]+ 395.18422 196.8
[M-H]- 371.18772 199.3
[M+NH4]+ 390.22882 202.5
[M+K]+ 411.15816 189.9
[M+H-H2O]+ 355.19226 181.5
[M+HCOO]- 417.19320 214.3
[M+CH3COO]- 431.20885 221.6
[M+Na-2H]- 393.16967 193.2
[M]+ 372.19445 191.3
[M]- 372.19555 191.3
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.