CID 2724997

(1r,2r)-n,n'-dimethyl-1,2-diphenylethane-1,2-diamine

Structural Information

Molecular Formula
C16H20N2
SMILES
CN[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)NC
InChI
InChI=1S/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m1/s1
InChIKey
BTHYVQUNQHWNLS-HZPDHXFCSA-N
Compound name
(1R,2R)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

133
Patents

240.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 157.1
[M+Na]+ 263.151858 160.5
[M-H]- 239.155364 163.0
[M+NH4]+ 258.196463 173.3
[M+K]+ 279.125798 157.0
[M+H-H2O]+ 223.159900 148.9
[M+HCOO]- 285.160841 180.8
[M+CH3COO]- 299.176491 199.6
[M+Na-2H]- 261.137306 162.4
[M]+ 240.16209142 154.2
[M]- 240.16318858 154.2
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