CID 375001

Nsc653827

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=C(C=C(C=C1)C(C#N)NNC(=O)CC2=CC=CC=C2)OC
InChI
InChI=1S/C18H19N3O3/c1-23-16-9-8-14(11-17(16)24-2)15(12-19)20-21-18(22)10-13-6-4-3-5-7-13/h3-9,11,15,20H,10H2,1-2H3,(H,21,22)
InChIKey
DDTMPEKDWLRKHB-UHFFFAOYSA-N
Compound name
N'-[cyano-(3,4-dimethoxyphenyl)methyl]-2-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 181.3
[M+Na]+ 348.13186 187.9
[M-H]- 324.13536 185.9
[M+NH4]+ 343.17646 192.5
[M+K]+ 364.10580 183.9
[M+H-H2O]+ 308.13990 165.9
[M+HCOO]- 370.14084 200.9
[M+CH3COO]- 384.15649 222.9
[M+Na-2H]- 346.11731 183.1
[M]+ 325.14209 177.4
[M]- 325.14319 177.4
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.