CID 135648515

303107-08-6

Structural Information

Molecular Formula
C23H26N4O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)CC(C)C)O
InChI
InChI=1S/C23H26N4O3/c1-4-30-22-12-17(7-10-21(22)28)14-24-27-23(29)20-13-19(25-26-20)18-8-5-16(6-9-18)11-15(2)3/h5-10,12-15,28H,4,11H2,1-3H3,(H,25,26)(H,27,29)/b24-14+
InChIKey
VCFHWZXUPUDFIG-ZVHZXABRSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 199.3
[M+Na]+ 429.18972 204.0
[M-H]- 405.19322 205.5
[M+NH4]+ 424.23432 207.5
[M+K]+ 445.16366 198.5
[M+H-H2O]+ 389.19776 188.6
[M+HCOO]- 451.19870 219.6
[M+CH3COO]- 465.21435 227.5
[M+Na-2H]- 427.17517 198.4
[M]+ 406.19995 200.5
[M]- 406.20105 200.5
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.