CID 418946

Nsc108336

Structural Information

Molecular Formula
C21H19N3O2
SMILES
COC1=CC(=C(C=C1N)OC)N=NC2=CC3=C(C=C2)C4=CC=CC=C4C3
InChI
InChI=1S/C21H19N3O2/c1-25-20-12-19(21(26-2)11-18(20)22)24-23-15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10-12H,9,22H2,1-2H3
InChIKey
VKXWFCLAWFAWPO-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-2-yldiazenyl)-2,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 179.4
[M+Na]+ 368.13696 188.4
[M-H]- 344.14046 190.8
[M+NH4]+ 363.18156 197.0
[M+K]+ 384.11090 183.9
[M+H-H2O]+ 328.14500 170.3
[M+HCOO]- 390.14594 207.5
[M+CH3COO]- 404.16159 191.9
[M+Na-2H]- 366.12241 185.1
[M]+ 345.14719 183.8
[M]- 345.14829 183.8
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.