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]+ 187.09783 138.1
[M+Na]+ 209.07977 146.9
[M-H]- 185.08327 138.6
[M+NH4]+ 204.12437 154.7
[M+K]+ 225.05371 145.2
[M+H-H2O]+ 169.08781 128.8
[M+HCOO]- 231.08875 154.4
[M+CH3COO]- 245.10440 149.5
[M+Na-2H]- 207.06522 146.3
[M]+ 186.09000 133.2
[M]- 186.09110 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