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]+ 276.08983 160.1
[M+Na]+ 298.07177 173.0
[M-H]- 274.07527 162.7
[M+NH4]+ 293.11637 178.4
[M+K]+ 314.04571 169.3
[M+H-H2O]+ 258.07981 152.1
[M+HCOO]- 320.08075 172.3
[M+CH3COO]- 334.09640 171.8
[M+Na-2H]- 296.05722 164.2
[M]+ 275.08200 160.0
[M]- 275.08310 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.