CID 2824984

Ns00018539

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=CC(=C(C=C1)C=NN2CCC(=O)NC3=CC=CC=C32)OC
InChI
InChI=1S/C18H19N3O3/c1-23-14-8-7-13(17(11-14)24-2)12-19-21-10-9-18(22)20-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)
InChIKey
WZHKFEGPYVCKGD-UHFFFAOYSA-N
Compound name
5-[(2,4-dimethoxyphenyl)methylideneamino]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.149916 176.3
[M+Na]+ 348.131858 182.6
[M-H]- 324.135364 182.3
[M+NH4]+ 343.176463 187.8
[M+K]+ 364.105798 182.9
[M+H-H2O]+ 308.139900 166.8
[M+HCOO]- 370.140841 195.0
[M+CH3COO]- 384.156491 211.3
[M+Na-2H]- 346.117306 180.6
[M]+ 325.14209142 174.3
[M]- 325.14318858 174.3
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

No patent data available for this compound.