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]+ 340.20195 179.2
[M+Na]+ 362.18389 187.8
[M-H]- 338.18739 187.5
[M+NH4]+ 357.22849 198.8
[M+K]+ 378.15783 184.5
[M+H-H2O]+ 322.19193 171.2
[M+HCOO]- 384.19287 202.6
[M+CH3COO]- 398.20852 220.1
[M+Na-2H]- 360.16934 183.7
[M]+ 339.19412 183.3
[M]- 339.19522 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.