CID 9573846

1-[(e)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methyleneamino]guanidine

Structural Information

Molecular Formula
C17H19N6
SMILES
CC1=CC2=[N+](C=C1)C=C(N2C)C3=CC=C(C=C3)/C=N/N=C(N)N
InChI
InChI=1S/C17H19N6/c1-12-7-8-23-11-15(22(2)16(23)9-12)14-5-3-13(4-6-14)10-20-21-17(18)19/h3-11H,1-2H3,(H4,18,19,21)/q+1/b20-10+
InChIKey
QZVUVCKNAPAQIZ-KEBDBYFISA-N
Compound name
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
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

literature stripe

Patent stripe

patents stripe