CID 3081211

1-mdpq

Structural Information

Molecular Formula
C20H21N3
SMILES
CC1=C2C(=CC=C1)C3=C(CCN3C4=CC=CC=C4C)C(=N2)NC
InChI
InChI=1S/C20H21N3/c1-13-7-4-5-10-17(13)23-12-11-16-19(23)15-9-6-8-14(2)18(15)22-20(16)21-3/h4-10H,11-12H2,1-3H3,(H,21,22)
InChIKey
XZENCZPCSRXPSL-UHFFFAOYSA-N
Compound name
N,6-dimethyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

46
Patents

303.17355 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 174.2
[M+Na]+ 326.16277 183.6
[M-H]- 302.16627 180.5
[M+NH4]+ 321.20737 190.6
[M+K]+ 342.13671 176.6
[M+H-H2O]+ 286.17081 164.8
[M+HCOO]- 348.17175 193.7
[M+CH3COO]- 362.18740 185.3
[M+Na-2H]- 324.14822 177.9
[M]+ 303.17300 174.4
[M]- 303.17410 174.4
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.