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]+ 308.175736 169.7
[M+Na]+ 330.157678 174.3
[M-H]- 306.161184 175.9
[M+NH4]+ 325.202283 184.9
[M+K]+ 346.131618 169.3
[M+H-H2O]+ 290.165720 159.3
[M+HCOO]- 352.166661 188.6
[M+CH3COO]- 366.182311 179.5
[M+Na-2H]- 328.143126 177.1
[M]+ 307.16791142 166.7
[M]- 307.16900858 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.