CID 2178

Amprolium ion

Structural Information

Molecular Formula
C14H19N4
SMILES
CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C
InChI
InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
InChIKey
IPZFPROOBOUEIG-UHFFFAOYSA-N
Compound name
5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

267
References

4060
Patents

243.16096 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16824 159.6
[M+Na]+ 266.15018 168.2
[M-H]- 242.15368 162.4
[M+NH4]+ 261.19478 172.7
[M+K]+ 282.12412 157.6
[M+H-H2O]+ 226.15822 152.6
[M+HCOO]- 288.15916 180.1
[M+CH3COO]- 302.17481 191.1
[M+Na-2H]- 264.13563 167.5
[M]+ 243.16041 158.5
[M]- 243.16151 158.5
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

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