CID 11293

C.i. basic red 9

Structural Information

Molecular Formula
C19H17N3
SMILES
C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI
InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2
InChIKey
AFAIELJLZYUNPW-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

85
References

6489
Patents

287.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 170.8
[M+Na]+ 310.13146 184.2
[M+NH4]+ 305.17606 179.2
[M+K]+ 326.10540 175.7
[M-H]- 286.13496 179.2
[M+Na-2H]- 308.11691 181.1
[M]+ 287.14169 175.0
[M]- 287.14279 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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