CID 5463952

Carbol fuchsin

Structural Information

Molecular Formula
C21H21N3
SMILES
CC1=C/C(=C(/C2=CC=C(C=C2)N)\C3=CC(=C(C=C3)N)C)/C=CC1=N
InChI
InChI=1S/C21H21N3/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17/h3-12,23H,22,24H2,1-2H3/b21-16-,23-19?
InChIKey
RJAMLLTWCQCKGI-CYYCFYCUSA-N
Compound name
4-[(Z)-(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

82
References

2144
Patents

315.17355 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18083 180.1
[M+Na]+ 338.16277 193.8
[M+NH4]+ 333.20737 188.2
[M+K]+ 354.13671 185.2
[M-H]- 314.16627 188.6
[M+Na-2H]- 336.14822 189.4
[M]+ 315.17300 184.4
[M]- 315.17410 184.4
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