CID 5787693

Mls002639024

Structural Information

Molecular Formula
C16H18N4
SMILES
C/C(=N\NC1=CC=CC=C1)/C(=N\NC2=CC=CC=C2)/C
InChI
InChI=1S/C16H18N4/c1-13(17-19-15-9-5-3-6-10-15)14(2)18-20-16-11-7-4-8-12-16/h3-12,19-20H,1-2H3/b17-13-,18-14+
InChIKey
NZSWAHHZVCLNEC-SIJTWYJSSA-N
Compound name
N-[(Z)-[(3E)-3-(phenylhydrazinylidene)butan-2-ylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 162.0
[M+Na]+ 289.14236 165.2
[M-H]- 265.14586 170.6
[M+NH4]+ 284.18696 177.7
[M+K]+ 305.11630 162.4
[M+H-H2O]+ 249.15040 152.4
[M+HCOO]- 311.15134 191.1
[M+CH3COO]- 325.16699 211.7
[M+Na-2H]- 287.12781 169.1
[M]+ 266.15259 159.9
[M]- 266.15369 159.9
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.