CID 135799314

303106-45-8

Structural Information

Molecular Formula
C21H20N4O4
SMILES
COC1=CC(=CC(=C1O)OC)/C=N/NC(=O)C2=C3CCC4=CC=CC=C4C3=NN2
InChI
InChI=1S/C21H20N4O4/c1-28-16-9-12(10-17(29-2)20(16)26)11-22-25-21(27)19-15-8-7-13-5-3-4-6-14(13)18(15)23-24-19/h3-6,9-11,26H,7-8H2,1-2H3,(H,23,24)(H,25,27)/b22-11+
InChIKey
JMTWGZLMRWZJQD-SSDVNMTOSA-N
Compound name
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14847 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 193.0
[M+Na]+ 415.13769 204.5
[M+NH4]+ 410.18229 198.6
[M+K]+ 431.11163 200.1
[M-H]- 391.14119 196.1
[M+Na-2H]- 413.12314 197.3
[M]+ 392.14792 195.1
[M]- 392.14902 195.1
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.