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 163.2
[M+Na]+ 293.14852 169.7
[M-H]- 269.15202 166.8
[M+NH4]+ 288.19312 179.9
[M+K]+ 309.12246 164.1
[M+H-H2O]+ 253.15656 148.2
[M+HCOO]- 315.15750 183.0
[M+CH3COO]- 329.17315 172.1
[M+Na-2H]- 291.13397 165.8
[M]+ 270.15875 153.5
[M]- 270.15985 153.5
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