CID 386340

Nsc678123

Structural Information

Molecular Formula
C22H19N3O4
SMILES
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4
InChI
InChI=1S/C22H19N3O4/c1-28-19-10-7-16(8-11-19)14-24-21-12-9-18(25(26)27)13-20(21)22(23-24)29-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
InChIKey
UQBHBWVGTVDYOE-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-5-nitro-3-phenylmethoxyindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 192.5
[M+Na]+ 412.12676 199.4
[M-H]- 388.13026 201.1
[M+NH4]+ 407.17136 202.3
[M+K]+ 428.10070 190.0
[M+H-H2O]+ 372.13480 185.4
[M+HCOO]- 434.13574 215.4
[M+CH3COO]- 448.15139 214.9
[M+Na-2H]- 410.11221 198.7
[M]+ 389.13699 195.8
[M]- 389.13809 195.8
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.