CID 89419291

2-chloro-11-prop-2-enyl-5,6-dihydrobenzo[b][1]benzazepine

Structural Information

Molecular Formula
C17H16ClN
SMILES
C=CCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN/c1-2-11-19-16-6-4-3-5-13(16)7-8-14-9-10-15(18)12-17(14)19/h2-6,9-10,12H,1,7-8,11H2
InChIKey
XULRPNFIPCUIRR-UHFFFAOYSA-N
Compound name
2-chloro-11-prop-2-enyl-5,6-dihydrobenzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.09714 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.104416 158.8
[M+Na]+ 292.086358 168.2
[M-H]- 268.089864 163.6
[M+NH4]+ 287.130963 176.5
[M+K]+ 308.060298 164.8
[M+H-H2O]+ 252.094400 152.9
[M+HCOO]- 314.095341 173.2
[M+CH3COO]- 328.110991 170.4
[M+Na-2H]- 290.071806 165.1
[M]+ 269.09659142 157.6
[M]- 269.09768858 157.6
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

patents stripe