CID 244196

7402-62-2

Structural Information

Molecular Formula
C17H22N6O
SMILES
COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCN=C(N)NC#N
InChI
InChI=1S/C17H22N6O/c1-24-14-10-13-6-5-9-21-16(13)15(11-14)20-7-3-2-4-8-22-17(19)23-12-18/h5-6,9-11,20H,2-4,7-8H2,1H3,(H3,19,22,23)
InChIKey
UIAZJVPLYYKNQA-UHFFFAOYSA-N
Compound name
1-cyano-2-[5-[(6-methoxyquinolin-8-yl)amino]pentyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18552 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19280 178.2
[M+Na]+ 349.17474 184.1
[M-H]- 325.17824 180.0
[M+NH4]+ 344.21934 189.3
[M+K]+ 365.14868 179.8
[M+H-H2O]+ 309.18278 162.3
[M+HCOO]- 371.18372 198.6
[M+CH3COO]- 385.19937 230.0
[M+Na-2H]- 347.16019 183.0
[M]+ 326.18497 173.2
[M]- 326.18607 173.2
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.