CID 135599726

110576-18-6

Structural Information

Molecular Formula
C13H10N4O
SMILES
C1=CC=C2C(=C1)C3=CNC=CC3=C2N=NC(=O)N
InChI
InChI=1S/C13H10N4O/c14-13(18)17-16-12-9-4-2-1-3-8(9)11-7-15-6-5-10(11)12/h1-7,15H,(H2,14,18)
InChIKey
VOTBYQXALBIBAT-UHFFFAOYSA-N
Compound name
2H-indeno[1,2-c]pyridin-5-yliminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.092736 147.4
[M+Na]+ 261.074678 156.9
[M-H]- 237.078184 153.4
[M+NH4]+ 256.119283 167.3
[M+K]+ 277.048618 152.7
[M+H-H2O]+ 221.082720 139.8
[M+HCOO]- 283.083661 174.9
[M+CH3COO]- 297.099311 160.9
[M+Na-2H]- 259.060126 156.8
[M]+ 238.08491142 148.0
[M]- 238.08600858 148.0
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.