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

12
Patents

212.13135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.0
[M+Na]+ 235.12057 153.6
[M-H]- 211.12407 154.1
[M+NH4]+ 230.16517 165.6
[M+K]+ 251.09451 149.7
[M+H-H2O]+ 195.12861 140.4
[M+HCOO]- 257.12955 172.8
[M+CH3COO]- 271.14520 193.2
[M+Na-2H]- 233.10602 153.9
[M]+ 212.13080 144.5
[M]- 212.13190 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