CID 55907

89022-12-8

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C18H19N3O3/c1-3-4-12-5-10-15(16(11-12)23-2)24-17(22)13-6-8-14(9-7-13)21-18(19)20/h3,5-11H,1,4H2,2H3,(H4,19,20,21)
InChIKey
PLAZRHIWSZYQOZ-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

325.14264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 178.3
[M+Na]+ 348.13186 188.5
[M+NH4]+ 343.17646 183.8
[M+K]+ 364.10580 182.7
[M-H]- 324.13536 182.5
[M+Na-2H]- 346.11731 184.4
[M]+ 325.14209 180.5
[M]- 325.14319 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe