CID 65376277

1267895-82-8

Structural Information

Molecular Formula
C15H18N2O
SMILES
COC1=CC=CC(=C1)NC(CN)C2=CC=CC=C2
InChI
InChI=1S/C15H18N2O/c1-18-14-9-5-8-13(10-14)17-15(11-16)12-6-3-2-4-7-12/h2-10,15,17H,11,16H2,1H3
InChIKey
QTSOFJYLPQGFMK-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.8
[M+Na]+ 265.13112 160.8
[M-H]- 241.13462 161.7
[M+NH4]+ 260.17572 172.0
[M+K]+ 281.10506 157.3
[M+H-H2O]+ 225.13916 147.7
[M+HCOO]- 287.14010 180.5
[M+CH3COO]- 301.15575 198.3
[M+Na-2H]- 263.11657 161.1
[M]+ 242.14135 154.0
[M]- 242.14245 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.