CID 99121490

Ns00052761

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CC(=NC1=CC=C(C=C1)C=O)NNC(=NC2=CC=C(C=C2)C=O)C
InChI
InChI=1S/C18H18N4O2/c1-13(19-17-7-3-15(11-23)4-8-17)21-22-14(2)20-18-9-5-16(12-24)6-10-18/h3-12H,1-2H3,(H,19,21)(H,20,22)
InChIKey
JXCKZXJGLRVCNJ-UHFFFAOYSA-N
Compound name
N'-(4-formylphenyl)-N-[[N-(4-formylphenyl)-C-methylcarbonimidoyl]amino]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.150246 176.8
[M+Na]+ 345.132188 181.7
[M-H]- 321.135694 186.0
[M+NH4]+ 340.176793 190.9
[M+K]+ 361.106128 178.6
[M+H-H2O]+ 305.140230 167.0
[M+HCOO]- 367.141171 206.1
[M+CH3COO]- 381.156821 220.9
[M+Na-2H]- 343.117636 181.4
[M]+ 322.14242142 177.3
[M]- 322.14351858 177.3
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.