CID 244644

Nsc55727

Structural Information

Molecular Formula
C10H12N6
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=C2N)N)N
InChI
InChI=1S/C10H12N6/c11-7-8(12)15-10(13)16-9(7)14-6-4-2-1-3-5-6/h1-5H,11H2,(H5,12,13,14,15,16)
InChIKey
SGWBUDIVEVIHND-UHFFFAOYSA-N
Compound name
4-N-phenylpyrimidine-2,4,5,6-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

216.11235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11963 146.1
[M+Na]+ 239.10157 154.2
[M-H]- 215.10507 149.9
[M+NH4]+ 234.14617 160.4
[M+K]+ 255.07551 149.6
[M+H-H2O]+ 199.10961 137.2
[M+HCOO]- 261.11055 171.6
[M+CH3COO]- 275.12620 157.8
[M+Na-2H]- 237.08702 153.2
[M]+ 216.11180 140.6
[M]- 216.11290 140.6
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.