CID 9589450

81241-99-8

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1(C2=CC=CC=C2N([C@]1(/C=N/N(C)C3=CC=C(C=C3)OC)O)C)C
InChI
InChI=1S/C20H25N3O2/c1-19(2)17-8-6-7-9-18(17)22(3)20(19,24)14-21-23(4)15-10-12-16(25-5)13-11-15/h6-14,24H,1-5H3/b21-14+/t20-/m1/s1
InChIKey
WFEBUOOJHMTGLF-DOAWATSRSA-N
Compound name
(2S)-2-[(E)-[(4-methoxyphenyl)-methylhydrazinylidene]methyl]-1,3,3-trimethylindol-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.201946 179.2
[M+Na]+ 362.183888 187.8
[M-H]- 338.187394 187.5
[M+NH4]+ 357.228493 198.8
[M+K]+ 378.157828 184.5
[M+H-H2O]+ 322.191930 171.2
[M+HCOO]- 384.192871 202.6
[M+CH3COO]- 398.208521 220.1
[M+Na-2H]- 360.169336 183.7
[M]+ 339.19412142 183.3
[M]- 339.19521858 183.3
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.