CID 86622

Einecs 241-740-6

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CC(=O)NC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C18H18N4O2/c1-13(23)21-17-7-3-15(4-8-17)11-19-20-12-16-5-9-18(10-6-16)22-14(2)24/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKey
IJZPLXLJPCGXJX-UHFFFAOYSA-N
Compound name
N-[4-[[(4-acetamidophenyl)methylidenehydrazinylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.14297 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 176.5
[M+Na]+ 345.13219 181.2
[M-H]- 321.13569 185.7
[M+NH4]+ 340.17679 190.4
[M+K]+ 361.10613 178.2
[M+H-H2O]+ 305.14023 166.6
[M+HCOO]- 367.14117 205.7
[M+CH3COO]- 381.15682 221.5
[M+Na-2H]- 343.11764 181.1
[M]+ 322.14242 177.1
[M]- 322.14352 177.1
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

patents stripe