CID 129626359

2-((3-amino-5-(aminomethyl)-2-methyl-4-pyridyl)methyl)-2-thiopseudourea trihydrobromide

Structural Information

Molecular Formula
C9H15N5S
SMILES
CC1=NC=C(C(=C1N)CSC(=N)N)NC
InChI
InChI=1S/C9H15N5S/c1-5-8(10)6(4-15-9(11)12)7(13-2)3-14-5/h3,13H,4,10H2,1-2H3,(H3,11,12)
InChIKey
LRCSCTMKLHMLPG-UHFFFAOYSA-N
Compound name
[3-amino-2-methyl-5-(methylamino)pyridin-4-yl]methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10481 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11209 149.1
[M+Na]+ 248.09403 156.0
[M-H]- 224.09753 150.9
[M+NH4]+ 243.13863 165.2
[M+K]+ 264.06797 151.6
[M+H-H2O]+ 208.10207 141.5
[M+HCOO]- 270.10301 168.5
[M+CH3COO]- 284.11866 199.6
[M+Na-2H]- 246.07948 150.5
[M]+ 225.10426 146.2
[M]- 225.10536 146.2
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.