CID 372528

Nsc647707

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
CC1=C2C(=O)NC3=CC=CC=C3C(=O)N2C4=C1C=C(C=C4)Cl
InChI
InChI=1S/C17H11ClN2O2/c1-9-12-8-10(18)6-7-14(12)20-15(9)16(21)19-13-5-3-2-4-11(13)17(20)22/h2-8H,1H3,(H,19,21)
InChIKey
VIMSCURFJXUCGH-UHFFFAOYSA-N
Compound name
2-chloro-13-methyl-11H-indolo[2,1-c][1,4]benzodiazepine-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0509 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05818 168.9
[M+Na]+ 333.04012 184.9
[M-H]- 309.04362 175.0
[M+NH4]+ 328.08472 186.7
[M+K]+ 349.01406 180.5
[M+H-H2O]+ 293.04816 162.9
[M+HCOO]- 355.04910 185.6
[M+CH3COO]- 369.06475 182.0
[M+Na-2H]- 331.02557 175.2
[M]+ 310.05035 173.5
[M]- 310.05145 173.5
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

No patent data available for this compound.