CID 9574212

Chembl1183769

Structural Information

Molecular Formula
C17H19N6
SMILES
CC1=C[N+]2=C(C=C1)N(C(=C2)C3=CC=C(C=C3)/C=N/N=C(N)N)C
InChI
InChI=1S/C17H19N6/c1-12-3-8-16-22(2)15(11-23(16)10-12)14-6-4-13(5-7-14)9-20-21-17(18)19/h3-11H,1-2H3,(H4,18,19,21)/q+1/b20-9+
InChIKey
PCKZVFWRPGCRDN-AWQFTUOYSA-N
Compound name
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.1671 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17438 171.6
[M+Na]+ 330.15632 180.3
[M-H]- 306.15982 179.8
[M+NH4]+ 325.20092 186.4
[M+K]+ 346.13026 169.5
[M+H-H2O]+ 290.16436 164.2
[M+HCOO]- 352.16530 199.1
[M+CH3COO]- 366.18095 212.7
[M+Na-2H]- 328.14177 179.3
[M]+ 307.16655 171.0
[M]- 307.16765 171.0
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.