CID 146637

5h-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7,8-dimethoxy-

Structural Information

Molecular Formula
C14H12N2O3
SMILES
COC1=C(C=C2C(=C1)C(=O)N3C=CC=C3C=N2)OC
InChI
InChI=1S/C14H12N2O3/c1-18-12-6-10-11(7-13(12)19-2)15-8-9-4-3-5-16(9)14(10)17/h3-8H,1-2H3
InChIKey
HDZHKNIOEDFMML-UHFFFAOYSA-N
Compound name
2,3-dimethoxypyrrolo[2,1-c][1,4]benzodiazepin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 153.3
[M+Na]+ 279.07400 165.9
[M-H]- 255.07750 159.6
[M+NH4]+ 274.11860 171.5
[M+K]+ 295.04794 166.0
[M+H-H2O]+ 239.08204 146.9
[M+HCOO]- 301.08298 177.0
[M+CH3COO]- 315.09863 167.4
[M+Na-2H]- 277.05945 161.0
[M]+ 256.08423 159.0
[M]- 256.08533 159.0
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.