CID 9574211

Chembl1626652

Structural Information

Molecular Formula
C19H21N6
SMILES
CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)/C=N/NC4=NCCCN4
InChI
InChI=1S/C19H21N6/c1-24-17(14-25-12-3-2-5-18(24)25)16-8-6-15(7-9-16)13-22-23-19-20-10-4-11-21-19/h2-3,5-9,12-14H,4,10-11H2,1H3,(H2,20,21,23)/q+1/b22-13+
InChIKey
FEZADGDXDMPUOD-LPYMAVHISA-N
Compound name
N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.18277 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19005 179.3
[M+Na]+ 356.17199 186.2
[M-H]- 332.17549 185.0
[M+NH4]+ 351.21659 189.0
[M+K]+ 372.14593 173.0
[M+H-H2O]+ 316.18003 169.6
[M+HCOO]- 378.18097 198.7
[M+CH3COO]- 392.19662 188.1
[M+Na-2H]- 354.15744 188.0
[M]+ 333.18222 175.4
[M]- 333.18332 175.4
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

No patent data available for this compound.