CID 135492350

Echiguanine a

Structural Information

Molecular Formula
C10H13N7O2
SMILES
C1=C(C2=C(N1)N=C(NC2=O)N)C(=O)NCCC(=N)N
InChI
InChI=1S/C10H13N7O2/c11-5(12)1-2-14-8(18)4-3-15-7-6(4)9(19)17-10(13)16-7/h3H,1-2H2,(H3,11,12)(H,14,18)(H4,13,15,16,17,19)
InChIKey
APPZNNNSVGCTRW-UHFFFAOYSA-N
Compound name
2-amino-N-(3-amino-3-iminopropyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

263.11307 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12035 155.2
[M+Na]+ 286.10229 163.0
[M-H]- 262.10579 153.9
[M+NH4]+ 281.14689 167.8
[M+K]+ 302.07623 158.1
[M+H-H2O]+ 246.11033 147.0
[M+HCOO]- 308.11127 176.5
[M+CH3COO]- 322.12692 201.8
[M+Na-2H]- 284.08774 159.6
[M]+ 263.11252 150.3
[M]- 263.11362 150.3
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