CID 198053

Oi 77

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1C2=CC=CC=C2C3=CC=CC=C3N1C(=O)CNC
InChI
InChI=1S/C17H18N2O/c1-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)19(12)17(20)11-18-2/h3-10,12,18H,11H2,1-2H3
InChIKey
IDFVDELZSONDFL-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-(6-methyl-6H-phenanthridin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 161.5
[M+Na]+ 289.13112 169.1
[M-H]- 265.13462 165.3
[M+NH4]+ 284.17572 178.7
[M+K]+ 305.10506 164.2
[M+H-H2O]+ 249.13916 153.4
[M+HCOO]- 311.14010 180.6
[M+CH3COO]- 325.15575 172.7
[M+Na-2H]- 287.11657 167.9
[M]+ 266.14135 161.2
[M]- 266.14245 161.2
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

patents stripe