CID 206811

Pyrrolo(3,2,1-jk)(1,4)benzodiazepin-1(2h)-one, 3,4,6,7-tetrahydro-9-chloro-

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C1CN2CCNC(=O)C3=CC(=CC1=C32)Cl
InChI
InChI=1S/C11H11ClN2O/c12-8-5-7-1-3-14-4-2-13-11(15)9(6-8)10(7)14/h5-6H,1-4H2,(H,13,15)
InChIKey
MVFJHPORKHCFOS-UHFFFAOYSA-N
Compound name
6-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

222.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.063256 146.5
[M+Na]+ 245.045198 155.8
[M-H]- 221.048704 148.4
[M+NH4]+ 240.089803 165.8
[M+K]+ 261.019138 153.2
[M+H-H2O]+ 205.053240 140.0
[M+HCOO]- 267.054181 158.3
[M+CH3COO]- 281.069831 158.1
[M+Na-2H]- 243.030646 151.0
[M]+ 222.05543142 143.0
[M]- 222.05652858 143.0
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

patents stripe