CID 177330

5t4cv1rg0h

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C
InChI
InChI=1S/C22H24N4O2/c1-13-15-7-8-23-20(22(28)24-9-10-25(2)3)17(15)12-18-16-11-14(27)5-6-19(16)26(4)21(13)18/h5-8,11-12,27H,9-10H2,1-4H3,(H,24,28)
InChIKey
ZDUZYDDAHVZGCI-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

2908
Patents

376.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 192.6
[M+Na]+ 399.17912 202.9
[M-H]- 375.18262 197.7
[M+NH4]+ 394.22372 206.9
[M+K]+ 415.15306 197.4
[M+H-H2O]+ 359.18716 183.6
[M+HCOO]- 421.18810 213.2
[M+CH3COO]- 435.20375 203.1
[M+Na-2H]- 397.16457 196.7
[M]+ 376.18935 199.6
[M]- 376.19045 199.6
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