CID 21780519

Stizolamine

Structural Information

Molecular Formula
C7H11N5O2
SMILES
CN1C(=CN=C(C1=O)N=C(N)N)CO
InChI
InChI=1S/C7H11N5O2/c1-12-4(3-13)2-10-5(6(12)14)11-7(8)9/h2,13H,3H2,1H3,(H4,8,9,10,11)
InChIKey
XZOSNHNAQRVGSZ-UHFFFAOYSA-N
Compound name
2-[5-(hydroxymethyl)-4-methyl-3-oxopyrazin-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.09128 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09856 141.5
[M+Na]+ 220.08050 150.4
[M-H]- 196.08400 142.7
[M+NH4]+ 215.12510 157.3
[M+K]+ 236.05444 148.1
[M+H-H2O]+ 180.08854 133.8
[M+HCOO]- 242.08948 165.8
[M+CH3COO]- 256.10513 191.0
[M+Na-2H]- 218.06595 146.3
[M]+ 197.09073 139.4
[M]- 197.09183 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe