CID 6888444

634896-74-5

Structural Information

Molecular Formula
C23H20N4O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CO4
InChI
InChI=1S/C23H20N4O3/c1-16-4-6-17(7-5-16)15-30-19-10-8-18(9-11-19)21-13-22(26-25-21)23(28)27-24-14-20-3-2-12-29-20/h2-14H,15H2,1H3,(H,25,26)(H,27,28)/b24-14+
InChIKey
CQWRKKINUMRKBV-ZVHZXABRSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.160806 193.2
[M+Na]+ 423.142748 199.9
[M-H]- 399.146254 205.2
[M+NH4]+ 418.187353 202.2
[M+K]+ 439.116688 195.2
[M+H-H2O]+ 383.150790 182.4
[M+HCOO]- 445.151731 218.4
[M+CH3COO]- 459.167381 203.4
[M+Na-2H]- 421.128196 195.2
[M]+ 400.15298142 196.6
[M]- 400.15407858 196.6
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.