CID 394816

Nsc698618

Structural Information

Molecular Formula
C27H21NO2
SMILES
COC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C27H21NO2/c1-30-21-14-12-20(13-15-21)28-24-16-10-18-6-2-4-8-22(18)26(24)27-23-9-5-3-7-19(23)11-17-25(27)29/h2-17,28-29H,1H3
InChIKey
MJEWEYFACUWOCH-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyanilino)naphthalen-1-yl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.15723 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16451 195.0
[M+Na]+ 414.14645 203.4
[M-H]- 390.14995 205.3
[M+NH4]+ 409.19105 206.7
[M+K]+ 430.12039 195.7
[M+H-H2O]+ 374.15449 183.8
[M+HCOO]- 436.15543 216.1
[M+CH3COO]- 450.17108 204.8
[M+Na-2H]- 412.13190 201.7
[M]+ 391.15668 196.3
[M]- 391.15778 196.3
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.