CID 110695

1,2-diamino-1,2-diphenylethane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

76
References

4385
Patents

212.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.9
[M+Na]+ 235.12057 153.2
[M-H]- 211.12407 154.1
[M+NH4]+ 230.16517 165.7
[M+K]+ 251.09451 149.5
[M+H-H2O]+ 195.12861 141.2
[M+HCOO]- 257.12955 172.1
[M+CH3COO]- 271.14520 192.3
[M+Na-2H]- 233.10602 153.2
[M]+ 212.13080 143.3
[M]- 212.13190 143.3
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