CID 5470906

Nsc706202

Structural Information

Molecular Formula
C28H29N3O2
SMILES
CN1CC2C(N(N=C2/C(=C/C3=CC=C(C=C3)OC)/C1)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H29N3O2/c1-30-18-22(17-20-9-13-24(32-2)14-10-20)27-26(19-30)28(21-11-15-25(33-3)16-12-21)31(29-27)23-7-5-4-6-8-23/h4-17,26,28H,18-19H2,1-3H3/b22-17+
InChIKey
ZGZNFZMNAFLLAL-OQKWZONESA-N
Compound name
(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.22598 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.23326 213.1
[M+Na]+ 462.21520 219.4
[M-H]- 438.21870 222.0
[M+NH4]+ 457.25980 220.2
[M+K]+ 478.18914 211.2
[M+H-H2O]+ 422.22324 199.5
[M+HCOO]- 484.22418 227.3
[M+CH3COO]- 498.23983 220.2
[M+Na-2H]- 460.20065 210.3
[M]+ 439.22543 212.0
[M]- 439.22653 212.0
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.