CID 197170

Carbidium ethanesulfonate

Structural Information

Molecular Formula
C23H22N3O2
SMILES
CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C
InChI
InChI=1S/C23H21N3O2/c1-3-28-23(27)25-17-11-8-15(9-12-17)22-19-7-5-4-6-18(19)20-14-16(24)10-13-21(20)26(22)2/h4-14H,3,24H2,1-2H3/p+1
InChIKey
VTANIEGTQLQOIB-UHFFFAOYSA-O
Compound name
ethyl N-[4-(2-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.1712 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17848 188.8
[M+Na]+ 395.16042 207.2
[M+NH4]+ 390.20502 198.1
[M+K]+ 411.13436 198.5
[M-H]- 371.16392 197.3
[M+Na-2H]- 393.14587 198.7
[M]+ 372.17065 194.4
[M]- 372.17175 194.4
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