CID 104052

3,8-diamino-6-phenyl-phenanthridine

Structural Information

Molecular Formula
C19H15N3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)N)N
InChI
InChI=1S/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2
InChIKey
CPNAVTYCORRLMH-UHFFFAOYSA-N
Compound name
6-phenylphenanthridine-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

667
Patents

285.1266 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13388 165.4
[M+Na]+ 308.11582 175.8
[M-H]- 284.11932 172.5
[M+NH4]+ 303.16042 181.0
[M+K]+ 324.08976 168.2
[M+H-H2O]+ 268.12386 156.2
[M+HCOO]- 330.12480 188.3
[M+CH3COO]- 344.14045 177.2
[M+Na-2H]- 306.10127 174.3
[M]+ 285.12605 164.0
[M]- 285.12715 164.0
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