CID 78424

4698-11-7

Structural Information

Molecular Formula
C15H13NO
SMILES
COC1=CC2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3
InChIKey
ZKHZWXLOSIGIGZ-UHFFFAOYSA-N
Compound name
5-methoxy-11H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

223.09972 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 147.0
[M+Na]+ 246.088938 155.1
[M-H]- 222.092444 151.4
[M+NH4]+ 241.133543 164.7
[M+K]+ 262.062878 154.0
[M+H-H2O]+ 206.096980 141.7
[M+HCOO]- 268.097921 166.4
[M+CH3COO]- 282.113571 159.2
[M+Na-2H]- 244.074386 156.1
[M]+ 223.09917142 144.6
[M]- 223.10026858 144.6
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

patents stripe