CID 211046

Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-chloro-2,5-dimethyl-

Structural Information

Molecular Formula
C13H15ClN2
SMILES
CC1=C2CCN(CN2C3=C1C=C(C=C3)Cl)C
InChI
InChI=1S/C13H15ClN2/c1-9-11-7-10(14)3-4-13(11)16-8-15(2)6-5-12(9)16/h3-4,7H,5-6,8H2,1-2H3
InChIKey
IRZSWPJYGDXTIV-UHFFFAOYSA-N
Compound name
7-chloro-2,5-dimethyl-3,4-dihydro-1H-pyrimido[1,6-a]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09238 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09966 149.7
[M+Na]+ 257.08160 165.9
[M+NH4]+ 252.12620 160.2
[M+K]+ 273.05554 158.6
[M-H]- 233.08510 152.8
[M+Na-2H]- 255.06705 155.8
[M]+ 234.09183 153.4
[M]- 234.09293 153.4
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.