CID 374931

127933-84-0

Structural Information

Molecular Formula
C10H8N4
SMILES
C1C2=CC=CC=C2N=CC3=CN=NN31
InChI
InChI=1S/C10H8N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-6H,7H2
InChIKey
LPSHMFMFMNQEEZ-UHFFFAOYSA-N
Compound name
10H-triazolo[5,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 136.2
[M+Na]+ 207.064108 146.5
[M-H]- 183.067614 138.4
[M+NH4]+ 202.108713 153.6
[M+K]+ 223.038048 145.4
[M+H-H2O]+ 167.072150 126.9
[M+HCOO]- 229.073091 155.3
[M+CH3COO]- 243.088741 148.9
[M+Na-2H]- 205.049556 145.9
[M]+ 184.07434142 134.4
[M]- 184.07543858 134.4
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.