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]+ 185.08217 136.2
[M+Na]+ 207.06411 146.5
[M-H]- 183.06761 138.4
[M+NH4]+ 202.10871 153.6
[M+K]+ 223.03805 145.4
[M+H-H2O]+ 167.07215 126.9
[M+HCOO]- 229.07309 155.3
[M+CH3COO]- 243.08874 148.9
[M+Na-2H]- 205.04956 145.9
[M]+ 184.07434 134.4
[M]- 184.07544 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.