CID 207752

5-methyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole

Structural Information

Molecular Formula
C12H14N2
SMILES
CC1=C2CCNCN2C3=CC=CC=C13
InChI
InChI=1S/C12H14N2/c1-9-10-4-2-3-5-12(10)14-8-13-7-6-11(9)14/h2-5,13H,6-8H2,1H3
InChIKey
LLVSTJSKEUSCEP-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 139.8
[M+Na]+ 209.10491 149.3
[M-H]- 185.10841 141.4
[M+NH4]+ 204.14951 160.5
[M+K]+ 225.07885 144.1
[M+H-H2O]+ 169.11295 132.7
[M+HCOO]- 231.11389 158.3
[M+CH3COO]- 245.12954 152.5
[M+Na-2H]- 207.09036 146.8
[M]+ 186.11514 137.6
[M]- 186.11624 137.6
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

No patent data available for this compound.