CID 374596

Nsc652565

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
CC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C
InChI
InChI=1S/C19H17ClN2O/c1-8-11(4)21-18-9(2)15-13-7-12(20)5-6-14(13)22-17(15)10(3)16(18)19(8)23/h5-7,22H,1-4H3,(H,21,23)
InChIKey
WTVRDTIRZJVFJR-UHFFFAOYSA-N
Compound name
9-chloro-2,3,5,11-tetramethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.10294 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 177.2
[M+Na]+ 347.09216 193.5
[M-H]- 323.09566 180.6
[M+NH4]+ 342.13676 194.9
[M+K]+ 363.06610 183.6
[M+H-H2O]+ 307.10020 170.7
[M+HCOO]- 369.10114 191.1
[M+CH3COO]- 383.11679 189.5
[M+Na-2H]- 345.07761 180.6
[M]+ 324.10239 183.9
[M]- 324.10349 183.9
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.