CID 169439280

Direct yellow 11

Structural Information

Molecular Formula
C27H35NO7S2
SMILES
CC1C(C(=O)/C(=C\N(C)C2=C(C(=C(C(=C2C)C)S(=O)(=O)O)C)C)/C3=C1C(=C(C(=C3C)C)S(=O)(=O)O)C)C
InChI
InChI=1S/C27H35NO7S2/c1-12-16(5)25(29)21(23-13(2)17(6)27(37(33,34)35)20(9)22(12)23)11-28(10)24-14(3)18(7)26(36(30,31)32)19(8)15(24)4/h11-12,16H,1-10H3,(H,30,31,32)(H,33,34,35)/b21-11-
InChIKey
SHZNZGMRTPIOAW-NHDPSOOVSA-N
Compound name
(5Z)-1,3,4,7,8-pentamethyl-6-oxo-5-[(N,2,3,5,6-pentamethyl-4-sulfoanilino)methylidene]-7,8-dihydronaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.1855 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.19278 234.6
[M+Na]+ 572.17472 244.2
[M+NH4]+ 567.21932 237.1
[M+K]+ 588.14866 237.3
[M-H]- 548.17822 234.9
[M+Na-2H]- 570.16017 234.5
[M]+ 549.18495 236.9
[M]- 549.18605 236.9
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.