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]+ 267.160416 162.0
[M+Na]+ 289.142358 165.2
[M-H]- 265.145864 170.6
[M+NH4]+ 284.186963 177.7
[M+K]+ 305.116298 162.4
[M+H-H2O]+ 249.150400 152.4
[M+HCOO]- 311.151341 191.1
[M+CH3COO]- 325.166991 211.7
[M+Na-2H]- 287.127806 169.1
[M]+ 266.15259142 159.9
[M]- 266.15368858 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.