CID 35797

31414-52-5

Structural Information

Molecular Formula
C7H14N10
SMILES
CC1=CN=C(N=C1NN=C(N)N)NN=C(N)N
InChI
InChI=1S/C7H14N10/c1-3-2-12-7(17-16-6(10)11)13-4(3)14-15-5(8)9/h2H,1H3,(H4,8,9,15)(H4,10,11,16)(H2,12,13,14,17)
InChIKey
QNWJXABFNZWVSK-UHFFFAOYSA-N
Compound name
2-[[2-[2-(diaminomethylidene)hydrazinyl]-5-methylpyrimidin-4-yl]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14029 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14757 147.7
[M+Na]+ 261.12951 152.5
[M-H]- 237.13301 150.8
[M+NH4]+ 256.17411 160.6
[M+K]+ 277.10345 151.9
[M+H-H2O]+ 221.13755 137.6
[M+HCOO]- 283.13849 177.1
[M+CH3COO]- 297.15414 216.9
[M+Na-2H]- 259.11496 153.7
[M]+ 238.13974 140.1
[M]- 238.14084 140.1
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.