CID 270251

Nsc112500

Structural Information

Molecular Formula
C23H19N3O
SMILES
CCN1C2=C(C=C(C=C2)N=C3C4=CC=CC=C4N(C3=O)C)C5=CC=CC=C51
InChI
InChI=1S/C23H19N3O/c1-3-26-20-11-7-4-8-16(20)18-14-15(12-13-21(18)26)24-22-17-9-5-6-10-19(17)25(2)23(22)27/h4-14H,3H2,1-2H3
InChIKey
BROGKPBGBFHTDH-UHFFFAOYSA-N
Compound name
3-(9-ethylcarbazol-3-yl)imino-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1528 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16008 186.4
[M+Na]+ 376.14202 198.0
[M-H]- 352.14552 195.9
[M+NH4]+ 371.18662 204.1
[M+K]+ 392.11596 190.4
[M+H-H2O]+ 336.15006 177.1
[M+HCOO]- 398.15100 208.6
[M+CH3COO]- 412.16665 198.3
[M+Na-2H]- 374.12747 188.5
[M]+ 353.15225 190.6
[M]- 353.15335 190.6
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.