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]+ 401.16081 193.2
[M+Na]+ 423.14275 199.9
[M-H]- 399.14625 205.2
[M+NH4]+ 418.18735 202.2
[M+K]+ 439.11669 195.2
[M+H-H2O]+ 383.15079 182.4
[M+HCOO]- 445.15173 218.4
[M+CH3COO]- 459.16738 203.4
[M+Na-2H]- 421.12820 195.2
[M]+ 400.15298 196.6
[M]- 400.15408 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.