CID 9943327

3920-79-4

Structural Information

Molecular Formula
C20H15N
SMILES
C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H15N/c1-2-9-16(10-3-1)21-20-14-15-8-4-5-11-17(15)18-12-6-7-13-19(18)20/h1-14,21H
InChIKey
BWMWHPFEZIXUNP-UHFFFAOYSA-N
Compound name
N-phenylphenanthren-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

297
Patents

269.12045 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12773 159.5
[M+Na]+ 292.10967 168.3
[M-H]- 268.11317 168.0
[M+NH4]+ 287.15427 177.2
[M+K]+ 308.08361 161.2
[M+H-H2O]+ 252.11771 150.7
[M+HCOO]- 314.11865 183.6
[M+CH3COO]- 328.13430 171.9
[M+Na-2H]- 290.09512 170.5
[M]+ 269.11990 159.3
[M]- 269.12100 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe