CID 67422

1,2-dianilinoethane

Structural Information

Molecular Formula
C14H16N2
SMILES
C1=CC=C(C=C1)NCCNC2=CC=CC=C2
InChI
InChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
NOUUUQMKVOUUNR-UHFFFAOYSA-N
Compound name
N,N'-diphenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

6374
Patents

212.13135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 146.1
[M+Na]+ 235.12057 151.0
[M-H]- 211.12407 152.2
[M+NH4]+ 230.16517 163.7
[M+K]+ 251.09451 146.9
[M+H-H2O]+ 195.12861 138.2
[M+HCOO]- 257.12955 172.6
[M+CH3COO]- 271.14520 191.9
[M+Na-2H]- 233.10602 155.2
[M]+ 212.13080 143.8
[M]- 212.13190 143.8
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