CID 6439954

Brn 0699380

Structural Information

Molecular Formula
C17H22N2O4
SMILES
C/C=C\1/CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)OC)OC
InChI
InChI=1S/C17H22N2O4/c1-5-10-6-13-16(23-4)18-12-8-15(22-3)14(21-2)7-11(12)17(20)19(13)9-10/h5,7-8,13,16,18H,6,9H2,1-4H3/b10-5-
InChIKey
DTARYDCAZYTQPA-YHYXMXQVSA-N
Compound name
(8Z)-8-ethylidene-2,3,6-trimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 173.5
[M+Na]+ 341.14718 182.2
[M+NH4]+ 336.19178 178.9
[M+K]+ 357.12112 179.9
[M-H]- 317.15068 172.9
[M+Na-2H]- 339.13263 173.7
[M]+ 318.15741 174.3
[M]- 318.15851 174.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.