CID 6334702

136722-85-5

Structural Information

Molecular Formula
C16H19ClN3Se
SMILES
C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3N=C2[Se])Cl
InChI
InChI=1S/C16H19ClN3Se/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3/t11-/m0/s1
InChIKey
MRQOUDXQJMFIGQ-NSHDSACASA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.04327 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05055 182.9
[M+Na]+ 391.03249 193.4
[M-H]- 367.03599 184.9
[M+NH4]+ 386.07709 198.7
[M+K]+ 407.00643 189.7
[M+H-H2O]+ 351.04053 173.9
[M+HCOO]- 413.04147 193.9
[M+CH3COO]- 427.05712 192.8
[M+Na-2H]- 389.01794 182.9
[M]+ 368.04272 185.0
[M]- 368.04382 185.0
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.