CID 61151531

1,n2-diphenylethane-1,2-diamine

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C=C1)C(CNC2=CC=CC=C2)N
InChI
InChI=1S/C14H16N2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14,16H,11,15H2
InChIKey
ZORMNFOQTHQKTD-UHFFFAOYSA-N
Compound name
N',1-diphenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 147.6
[M+Na]+ 235.120568 152.2
[M-H]- 211.124074 153.3
[M+NH4]+ 230.165173 164.8
[M+K]+ 251.094508 148.3
[M+H-H2O]+ 195.128610 139.8
[M+HCOO]- 257.129551 172.4
[M+CH3COO]- 271.145201 192.1
[M+Na-2H]- 233.106016 154.3
[M]+ 212.13080142 143.7
[M]- 212.13189858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe