CID 212549

Brn 0625711

Structural Information

Molecular Formula
C19H21ClN2Se
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3[Se]C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H21ClN2Se/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
InChIKey
OWNHDIHRAYKGQT-UHFFFAOYSA-N
Compound name
1-(3-chloro-5,6-dihydrobenzo[b][1]benzoselenepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.05585 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06313 188.8
[M+Na]+ 415.04507 195.5
[M-H]- 391.04857 193.6
[M+NH4]+ 410.08967 201.7
[M+K]+ 431.01901 191.4
[M+H-H2O]+ 375.05311 178.7
[M+HCOO]- 437.05405 197.1
[M+CH3COO]- 451.06970 196.8
[M+Na-2H]- 413.03052 190.5
[M]+ 392.05530 183.3
[M]- 392.05640 183.3
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.