CID 23651231

N1-(1-phenylethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C14H16N2
SMILES
CC(C1=CC=CC=C1)NC2=CC=CC=C2N
InChI
InChI=1S/C14H16N2/c1-11(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)15/h2-11,16H,15H2,1H3
InChIKey
MQWPQVBEANBHRS-UHFFFAOYSA-N
Compound name
2-N-(1-phenylethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.0
[M+Na]+ 235.120568 153.6
[M-H]- 211.124074 154.1
[M+NH4]+ 230.165173 165.6
[M+K]+ 251.094508 149.7
[M+H-H2O]+ 195.128610 140.4
[M+HCOO]- 257.129551 172.8
[M+CH3COO]- 271.145201 193.2
[M+Na-2H]- 233.106016 153.9
[M]+ 212.13080142 144.5
[M]- 212.13189858 144.5
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

patents stripe