CID 390399

Nsc687753

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CCN(C1)N=NC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3/c1-2-6-14(7-3-1)15-8-10-16(11-9-15)17-18-19-12-4-5-13-19/h1-3,6-11H,4-5,12-13H2
InChIKey
MRYPNJVMVATAJI-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)-pyrrolidin-1-yldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 156.1
[M+Na]+ 274.13146 161.5
[M-H]- 250.13496 166.6
[M+NH4]+ 269.17606 173.6
[M+K]+ 290.10540 157.8
[M+H-H2O]+ 234.13950 146.0
[M+HCOO]- 296.14044 183.1
[M+CH3COO]- 310.15609 168.6
[M+Na-2H]- 272.11691 162.1
[M]+ 251.14169 153.7
[M]- 251.14279 153.7
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.