CID 3508054

Bmh-21

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CN(C)CCNC(=O)C1=CC=CN2C1=NC3=CC4=CC=CC=C4C=C3C2=O
InChI
InChI=1S/C21H20N4O2/c1-24(2)11-9-22-20(26)16-8-5-10-25-19(16)23-18-13-15-7-4-3-6-14(15)12-17(18)21(25)27/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,26)
InChIKey
BXYDVWIAGDJBEC-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

39
Patents

360.15863 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 184.5
[M+Na]+ 383.14785 193.3
[M-H]- 359.15135 189.6
[M+NH4]+ 378.19245 197.3
[M+K]+ 399.12179 188.0
[M+H-H2O]+ 343.15589 173.7
[M+HCOO]- 405.15683 204.8
[M+CH3COO]- 419.17248 194.6
[M+Na-2H]- 381.13330 193.1
[M]+ 360.15808 188.9
[M]- 360.15918 188.9
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