CID 196776

Sk&f 96079

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC1=CC=CC=C1N2CCC3=C(N=C4C(=C32)C=CC=C4OC)C
InChI
InChI=1S/C20H20N2O/c1-13-7-4-5-9-17(13)22-12-11-15-14(2)21-19-16(20(15)22)8-6-10-18(19)23-3/h4-10H,11-12H2,1-3H3
InChIKey
LRRNXUOMUQEWTP-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-1-(2-methylphenyl)-2,3-dihydropyrrolo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

304.15756 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 174.6
[M+Na]+ 327.146778 184.6
[M-H]- 303.150284 180.9
[M+NH4]+ 322.191383 191.1
[M+K]+ 343.120718 178.4
[M+H-H2O]+ 287.154820 165.2
[M+HCOO]- 349.155761 193.1
[M+CH3COO]- 363.171411 186.0
[M+Na-2H]- 325.132226 177.5
[M]+ 304.15701142 176.7
[M]- 304.15810858 176.7
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