CID 347120

Nsc405616

Structural Information

Molecular Formula
C14H16N6O
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCN=C(N)NC#N
InChI
InChI=1S/C14H16N6O/c1-21-11-7-10-3-2-4-18-13(10)12(8-11)17-5-6-19-14(16)20-9-15/h2-4,7-8,17H,5-6H2,1H3,(H3,16,19,20)
InChIKey
UXSYTLSDHVWZGB-UHFFFAOYSA-N
Compound name
1-cyano-2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13855 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14583 167.2
[M+Na]+ 307.12777 174.3
[M-H]- 283.13127 169.4
[M+NH4]+ 302.17237 179.8
[M+K]+ 323.10171 170.5
[M+H-H2O]+ 267.13581 151.7
[M+HCOO]- 329.13675 188.4
[M+CH3COO]- 343.15240 222.0
[M+Na-2H]- 305.11322 173.2
[M]+ 284.13800 161.2
[M]- 284.13910 161.2
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.