CID 9903542

Al-0671

Structural Information

Molecular Formula
C14H18N6
SMILES
C1C[C@H]2C[C@@H]1C[C@H]2N=C(NC#N)NC3=CN=C(C=C3)N
InChI
InChI=1S/C14H18N6/c15-8-18-14(19-11-3-4-13(16)17-7-11)20-12-6-9-1-2-10(12)5-9/h3-4,7,9-10,12H,1-2,5-6H2,(H2,16,17)(H2,18,19,20)/t9-,10+,12-/m1/s1
InChIKey
IGOWUPPVYHMIRR-JFGNBEQYSA-N
Compound name
1-(6-aminopyridin-3-yl)-2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

270.1593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16658 170.9
[M+Na]+ 293.14852 176.9
[M+NH4]+ 288.19312 174.9
[M+K]+ 309.12246 171.1
[M-H]- 269.15202 166.8
[M+Na-2H]- 291.13397 171.0
[M]+ 270.15875 169.2
[M]- 270.15985 169.2
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

patents stripe