CID 10964285

(2s)-(-)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N
InChI
InChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15/h5-13,18H,20-21H2,1-4H3/t18-/m0/s1
InChIKey
WDYGPMAMBXJESZ-SFHVURJKSA-N
Compound name
(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

594
Patents

314.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 177.9
[M+Na]+ 337.188648 182.1
[M-H]- 313.192154 183.3
[M+NH4]+ 332.233253 191.2
[M+K]+ 353.162588 179.3
[M+H-H2O]+ 297.196690 169.8
[M+HCOO]- 359.197631 198.2
[M+CH3COO]- 373.213281 214.4
[M+Na-2H]- 335.174096 178.9
[M]+ 314.19888142 177.2
[M]- 314.19997858 177.2
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