CID 14639043

127933-85-1

Structural Information

Molecular Formula
C10H10N4
SMILES
C1C2=CN=NN2CC3=CC=CC=C3N1
InChI
InChI=1S/C10H10N4/c1-2-4-10-8(3-1)7-14-9(5-11-10)6-12-13-14/h1-4,6,11H,5,7H2
InChIKey
NMQROUTYOYSSRM-UHFFFAOYSA-N
Compound name
5,10-dihydro-4H-triazolo[5,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.09055 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.097826 138.1
[M+Na]+ 209.079768 146.9
[M-H]- 185.083274 138.6
[M+NH4]+ 204.124373 154.7
[M+K]+ 225.053708 145.2
[M+H-H2O]+ 169.087810 128.8
[M+HCOO]- 231.088751 154.4
[M+CH3COO]- 245.104401 149.5
[M+Na-2H]- 207.065216 146.3
[M]+ 186.09000142 133.2
[M]- 186.09109858 133.2
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

patents stripe