CID 6478590

N-nicotinyl-2-amino--azoanisole

Structural Information

Molecular Formula
C20H20N4O2
SMILES
C1=CC=C(C=C1)OC/N=N/COC2=CC=CC=C2NCC3=CN=CC=C3
InChI
InChI=1S/C20H20N4O2/c1-2-8-18(9-3-1)25-15-23-24-16-26-20-11-5-4-10-19(20)22-14-17-7-6-12-21-13-17/h1-13,22H,14-16H2/b24-23+
InChIKey
ZTCOQTCPUBRDBN-WCWDXBQESA-N
Compound name
2-[[(E)-phenoxymethyldiazenyl]methoxy]-N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.15863 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 179.4
[M+Na]+ 371.14785 183.8
[M-H]- 347.15135 189.4
[M+NH4]+ 366.19245 190.3
[M+K]+ 387.12179 179.8
[M+H-H2O]+ 331.15589 167.0
[M+HCOO]- 393.15683 208.1
[M+CH3COO]- 407.17248 222.2
[M+Na-2H]- 369.13330 188.7
[M]+ 348.15808 182.1
[M]- 348.15918 182.1
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.