CID 173295

Hc blue no. 15

Structural Information

Molecular Formula
C23H22Cl2N2
SMILES
CC1=CC(=CC(=C1N)C)C(=C2C=C(C(=N)C(=C2)C)C)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C23H22Cl2N2/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17/h5-11,26H,27H2,1-4H3
InChIKey
HAXFPURYCXTEKO-UHFFFAOYSA-N
Compound name
4-[(2,6-dichlorophenyl)-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)methyl]-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

584
Patents

396.116 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12328 198.4
[M+Na]+ 419.10522 208.6
[M-H]- 395.10872 207.5
[M+NH4]+ 414.14982 211.2
[M+K]+ 435.07916 198.9
[M+H-H2O]+ 379.11326 191.2
[M+HCOO]- 441.11420 210.7
[M+CH3COO]- 455.12985 230.2
[M+Na-2H]- 417.09067 194.4
[M]+ 396.11545 199.5
[M]- 396.11655 199.5
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