CID 13879302

52238-86-5

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CC1=CC(=NC(=C1C#N)NCCCOCCCCO)N
InChI
InChI=1S/C14H22N4O2/c1-11-9-13(16)18-14(12(11)10-15)17-5-4-8-20-7-3-2-6-19/h9,19H,2-8H2,1H3,(H3,16,17,18)
InChIKey
SGJCGUGJOUKDDB-UHFFFAOYSA-N
Compound name
6-amino-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

278.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 163.4
[M+Na]+ 301.163518 170.5
[M-H]- 277.167024 163.0
[M+NH4]+ 296.208123 175.4
[M+K]+ 317.137458 167.4
[M+H-H2O]+ 261.171560 149.0
[M+HCOO]- 323.172501 181.6
[M+CH3COO]- 337.188151 214.6
[M+Na-2H]- 299.148966 165.8
[M]+ 278.17375142 159.6
[M]- 278.17484858 159.6
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

patents stripe