CID 3050879

67159-66-4

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]+ 237.13863 153.4
[M+Na]+ 259.12057 160.5
[M-H]- 235.12407 161.5
[M+NH4]+ 254.16517 170.7
[M+K]+ 275.09451 155.1
[M+H-H2O]+ 219.12861 144.7
[M+HCOO]- 281.12955 177.0
[M+CH3COO]- 295.14520 165.7
[M+Na-2H]- 257.10602 157.2
[M]+ 236.13080 149.6
[M]- 236.13190 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.