CID 135294637

4h,5h,6h,7h,8h-pyrazolo[1,5-a][1,4]diazepin-2-amine

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CNCC2=CC(=NN2C1)N
InChI
InChI=1S/C7H12N4/c8-7-4-6-5-9-2-1-3-11(6)10-7/h4,9H,1-3,5H2,(H2,8,10)
InChIKey
IMQGJTWGILNPMZ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 129.9
[M+Na]+ 175.095418 136.0
[M-H]- 151.098924 130.0
[M+NH4]+ 170.140023 147.4
[M+K]+ 191.069358 136.6
[M+H-H2O]+ 135.103460 121.1
[M+HCOO]- 197.104401 147.4
[M+CH3COO]- 211.120051 141.2
[M+Na-2H]- 173.080866 135.6
[M]+ 152.10565142 121.5
[M]- 152.10674858 121.5
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