CID 340748

Nsc371823

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
CC1=NN2C(=C1)C3=C(C=CC(=C3)Cl)NC(=O)C2(C)C
InChI
InChI=1S/C14H14ClN3O/c1-8-6-12-10-7-9(15)4-5-11(10)16-13(19)14(2,3)18(12)17-8/h4-7H,1-3H3,(H,16,19)
InChIKey
IPEPRHJDQAZWIY-UHFFFAOYSA-N
Compound name
10-chloro-2,5,5-trimethyl-7H-pyrazolo[1,5-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.089826 160.1
[M+Na]+ 298.071768 173.0
[M-H]- 274.075274 162.7
[M+NH4]+ 293.116373 178.4
[M+K]+ 314.045708 169.3
[M+H-H2O]+ 258.079810 152.1
[M+HCOO]- 320.080751 172.3
[M+CH3COO]- 334.096401 171.8
[M+Na-2H]- 296.057216 164.2
[M]+ 275.08200142 160.0
[M]- 275.08309858 160.0
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.