CID 390788

Nsc688722

Structural Information

Molecular Formula
C11H14N6O
SMILES
COC1=CC=CC=C1NC2=NC(=NC(=C2N)N)N
InChI
InChI=1S/C11H14N6O/c1-18-7-5-3-2-4-6(7)15-10-8(12)9(13)16-11(14)17-10/h2-5H,12H2,1H3,(H5,13,14,15,16,17)
InChIKey
GYPPUNPCXFGRNB-UHFFFAOYSA-N
Compound name
4-N-(2-methoxyphenyl)pyrimidine-2,4,5,6-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12291 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13019 154.7
[M+Na]+ 269.11213 163.1
[M-H]- 245.11563 158.7
[M+NH4]+ 264.15673 167.9
[M+K]+ 285.08607 158.9
[M+H-H2O]+ 229.12017 145.5
[M+HCOO]- 291.12111 179.9
[M+CH3COO]- 305.13676 204.2
[M+Na-2H]- 267.09758 160.4
[M]+ 246.12236 151.2
[M]- 246.12346 151.2
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.