CID 380997

Nsc666974

Structural Information

Molecular Formula
C11H9N5O
SMILES
C1=CC=C2C(=C1)C(=C3N2NC=C3)N=NC(=O)N
InChI
InChI=1S/C11H9N5O/c12-11(17)15-14-10-7-3-1-2-4-8(7)16-9(10)5-6-13-16/h1-6,13H,(H2,12,17)
InChIKey
XLJLKFNJRDJICY-UHFFFAOYSA-N
Compound name
1H-pyrazolo[1,5-a]indol-4-yliminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 143.5
[M+Na]+ 250.06992 154.5
[M-H]- 226.07342 149.1
[M+NH4]+ 245.11452 164.5
[M+K]+ 266.04386 151.0
[M+H-H2O]+ 210.07796 135.9
[M+HCOO]- 272.07890 172.6
[M+CH3COO]- 286.09455 157.8
[M+Na-2H]- 248.05537 152.2
[M]+ 227.08015 146.3
[M]- 227.08125 146.3
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.