CID 5744300

N2-((1,5-dimethyl-1h-pyrrol-2-yl)methyl)pyridine-2,5-diamine dihydrochloride

Structural Information

Molecular Formula
C12H16N4
SMILES
CC1=CC=C(N1C)CNC2=NC=C(C=C2)N
InChI
InChI=1S/C12H16N4/c1-9-3-5-11(16(9)2)8-15-12-6-4-10(13)7-14-12/h3-7H,8,13H2,1-2H3,(H,14,15)
InChIKey
IJFVBBVDFMCORN-UHFFFAOYSA-N
Compound name
2-N-[(1,5-dimethylpyrrol-2-yl)methyl]pyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.144776 148.7
[M+Na]+ 239.126718 157.3
[M-H]- 215.130224 153.2
[M+NH4]+ 234.171323 166.1
[M+K]+ 255.100658 153.2
[M+H-H2O]+ 199.134760 140.2
[M+HCOO]- 261.135701 173.5
[M+CH3COO]- 275.151351 193.9
[M+Na-2H]- 237.112166 153.1
[M]+ 216.13695142 147.8
[M]- 216.13804858 147.8
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.