CID 3050879

2h-pyrrol-5-amine, 3,4-dihydro-3,4-diphenyl-

Structural Information

Molecular Formula
C16H16N2
SMILES
C1C(C(C(=N1)N)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,17,18)
InChIKey
SWHSJEWMUJAAOH-UHFFFAOYSA-N
Compound name
3,4-diphenyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 153.4
[M+Na]+ 259.120568 160.5
[M-H]- 235.124074 161.5
[M+NH4]+ 254.165173 170.7
[M+K]+ 275.094508 155.1
[M+H-H2O]+ 219.128610 144.7
[M+HCOO]- 281.129551 177.0
[M+CH3COO]- 295.145201 165.7
[M+Na-2H]- 257.106016 157.2
[M]+ 236.13080142 149.6
[M]- 236.13189858 149.6
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.