CID 9571932

Nsc673181

Structural Information

Molecular Formula
C16H14N6
SMILES
C1CN=C(N1)N/N=C/C2=CC=CC3=CC4=C(C=NC=C4)N=C32
InChI
InChI=1S/C16H14N6/c1-2-12-8-11-4-5-17-10-14(11)21-15(12)13(3-1)9-20-22-16-18-6-7-19-16/h1-5,8-10H,6-7H2,(H2,18,19,22)/b20-9+
InChIKey
JYPFLDCLOKGFQE-AWQFTUOYSA-N
Compound name
N-[(E)-benzo[b][1,7]naphthyridin-9-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.128 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13528 163.0
[M+Na]+ 313.11722 172.1
[M-H]- 289.12072 166.6
[M+NH4]+ 308.16182 176.1
[M+K]+ 329.09116 164.7
[M+H-H2O]+ 273.12526 151.9
[M+HCOO]- 335.12620 183.9
[M+CH3COO]- 349.14185 173.5
[M+Na-2H]- 311.10267 173.3
[M]+ 290.12745 161.9
[M]- 290.12855 161.9
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.