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]+ 270.10442 158.8
[M+Na]+ 292.08636 168.2
[M-H]- 268.08986 163.6
[M+NH4]+ 287.13096 176.5
[M+K]+ 308.06030 164.8
[M+H-H2O]+ 252.09440 152.9
[M+HCOO]- 314.09534 173.2
[M+CH3COO]- 328.11099 170.4
[M+Na-2H]- 290.07181 165.1
[M]+ 269.09659 157.6
[M]- 269.09769 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