CID 7063908

1052544-48-5

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1COC2=C(C=C3C(=C2)NC(=N3)N=C(N)N)OC1
InChI
InChI=1S/C11H13N5O2/c12-10(13)16-11-14-6-4-8-9(5-7(6)15-11)18-3-1-2-17-8/h4-5H,1-3H2,(H5,12,13,14,15,16)
InChIKey
TWAYQVRQZWSNCQ-UHFFFAOYSA-N
Compound name
2-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 157.7
[M+Na]+ 270.09614 165.4
[M+NH4]+ 265.14074 163.5
[M+K]+ 286.07008 164.7
[M-H]- 246.09964 161.4
[M+Na-2H]- 268.08159 159.8
[M]+ 247.10637 159.5
[M]- 247.10747 159.5
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.