CID 211045

22106-07-6

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=C2CCN(CN2C3=CC=CC=C13)C
InChI
InChI=1S/C13H16N2/c1-10-11-5-3-4-6-13(11)15-9-14(2)8-7-12(10)15/h3-6H,7-9H2,1-2H3
InChIKey
YUNDRVUPOZFFJE-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.5
[M+Na]+ 223.12057 154.8
[M-H]- 199.12407 147.6
[M+NH4]+ 218.16517 165.6
[M+K]+ 239.09451 150.3
[M+H-H2O]+ 183.12861 137.1
[M+HCOO]- 245.12955 164.1
[M+CH3COO]- 259.14520 157.7
[M+Na-2H]- 221.10602 150.6
[M]+ 200.13080 144.8
[M]- 200.13190 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe