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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.14992	177.7
[M+Na]+	348.13186	183.2
[M-H]-	324.13536	184.8
[M+NH4]+	343.17646	190.8
[M+K]+	364.10580	179.9
[M+H-H2O]+	308.13990	168.5
[M+HCOO]-	370.14084	203.1
[M+CH3COO]-	384.15649	218.4
[M+Na-2H]-	346.11731	178.6
[M]+	325.14209	177.7
[M]-	325.14319	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe