CID 93235

C.i. basic red 29

Structural Information

Molecular Formula
C19H17N4S
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=[N+](C=CS4)C
InChI
InChI=1S/C19H17N4S/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14/h3-13H,1-2H3/q+1
InChIKey
MBSCGGXZUJHLJX-UHFFFAOYSA-N
Compound name
(1-methyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

963
Patents

333.1174 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12468 178.7
[M+Na]+ 356.10662 190.4
[M-H]- 332.11012 191.7
[M+NH4]+ 351.15122 196.1
[M+K]+ 372.08056 179.2
[M+H-H2O]+ 316.11466 172.3
[M+HCOO]- 378.11560 203.0
[M+CH3COO]- 392.13125 210.3
[M+Na-2H]- 354.09207 183.6
[M]+ 333.11685 184.2
[M]- 333.11795 184.2
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

patents stripe