CID 330591

22965-15-7

Structural Information

Molecular Formula
C19H19NO4
SMILES
CN1C2=C(CCC3=C1C(=CC=C3)C(=O)OC)C=CC=C2C(=O)OC
InChI
InChI=1S/C19H19NO4/c1-20-16-12(6-4-8-14(16)18(21)23-2)10-11-13-7-5-9-15(17(13)20)19(22)24-3/h4-9H,10-11H2,1-3H3
InChIKey
JBPZKMXNIRDZDB-UHFFFAOYSA-N
Compound name
dimethyl 11-methyl-5,6-dihydrobenzo[b][1]benzazepine-1,10-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 171.9
[M+Na]+ 348.12062 183.2
[M+NH4]+ 343.16522 178.3
[M+K]+ 364.09456 178.6
[M-H]- 324.12412 173.2
[M+Na-2H]- 346.10607 175.9
[M]+ 325.13085 173.9
[M]- 325.13195 173.9
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.