CID 9574210

Schembl29388095

Structural Information

Molecular Formula
C20H24N6
SMILES
CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)/C=N/NC(=[N+]4CCCC4)N
InChI
InChI=1S/C20H23N6/c1-24-18(15-26-13-3-2-6-19(24)26)17-9-7-16(8-10-17)14-22-23-20(21)25-11-4-5-12-25/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H2,21,23)/q+1/p+1/b22-14+
InChIKey
OAMCFDRHMBXRKG-HYARGMPZSA-O
Compound name
N'-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-pyrrolidin-1-ium-1-ylidenemethanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

348.20624 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21352 182.9
[M+Na]+ 371.19546 187.9
[M-H]- 347.19896 191.3
[M+NH4]+ 366.24006 194.8
[M+K]+ 387.16940 171.1
[M+H-H2O]+ 331.20350 176.9
[M+HCOO]- 393.20444 204.7
[M+CH3COO]- 407.22009 205.9
[M+Na-2H]- 369.18091 189.9
[M]+ 348.20569 177.5
[M]- 348.20679 177.5
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

No patent data available for this compound.