CID 3046035

61467-34-3

Structural Information

Molecular Formula
C14H17BrN2
SMILES
CC1CC2=C(C3=C(N2CN1C)C=CC(=C3)Br)C
InChI
InChI=1S/C14H17BrN2/c1-9-6-14-10(2)12-7-11(15)4-5-13(12)17(14)8-16(9)3/h4-5,7,9H,6,8H2,1-3H3
InChIKey
MMOXJIYOWNYEMI-UHFFFAOYSA-N
Compound name
7-bromo-2,3,5-trimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06478 162.3
[M+Na]+ 315.04672 176.7
[M-H]- 291.05022 168.5
[M+NH4]+ 310.09132 183.9
[M+K]+ 331.02066 164.3
[M+H-H2O]+ 275.05476 161.9
[M+HCOO]- 337.05570 179.4
[M+CH3COO]- 351.07135 176.7
[M+Na-2H]- 313.03217 167.2
[M]+ 292.05695 182.2
[M]- 292.05805 182.2
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.