CID 208442

640c46

Structural Information

Molecular Formula
C15H16N3
SMILES
CC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C)N)N
InChI
InChI=1S/C15H15N3/c1-9-14-7-10(16)3-5-12(14)13-6-4-11(17)8-15(13)18(9)2/h3-8,17H,16H2,1-2H3/p+1
InChIKey
VQBIZDCDUFVUBK-UHFFFAOYSA-O
Compound name
5,6-dimethylphenanthridin-5-ium-3,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13443 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14171 154.3
[M+Na]+ 261.12365 165.7
[M-H]- 237.12715 159.2
[M+NH4]+ 256.16825 172.5
[M+K]+ 277.09759 154.3
[M+H-H2O]+ 221.13169 149.7
[M+HCOO]- 283.13263 177.0
[M+CH3COO]- 297.14828 194.5
[M+Na-2H]- 259.10910 164.2
[M]+ 238.13388 153.4
[M]- 238.13498 153.4
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.