CID 9554604

101077-35-4

Structural Information

Molecular Formula
C19H21N3O
SMILES
COC1=CC2=C3C(=C1)/C(=N/NC4=CC=CC=C4)/CCN3CCC2
InChI
InChI=1S/C19H21N3O/c1-23-16-12-14-6-5-10-22-11-9-18(17(13-16)19(14)22)21-20-15-7-3-2-4-8-15/h2-4,7-8,12-13,20H,5-6,9-11H2,1H3/b21-18+
InChIKey
LGSNJNHSGHFDSM-DYTRJAOYSA-N
Compound name
N-[(E)-(7-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.16846 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17574 169.7
[M+Na]+ 330.15768 174.3
[M-H]- 306.16118 175.9
[M+NH4]+ 325.20228 184.9
[M+K]+ 346.13162 169.3
[M+H-H2O]+ 290.16572 159.3
[M+HCOO]- 352.16666 188.6
[M+CH3COO]- 366.18231 179.5
[M+Na-2H]- 328.14313 177.1
[M]+ 307.16791 166.7
[M]- 307.16901 166.7
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.