CID 29093

Cresyl violet

Structural Information

Molecular Formula
C19H18N3O
SMILES
CC1=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=CC1=[N+](C)C
InChI
InChI=1S/C19H17N3O/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15/h4-10,20H,1-3H3/p+1
InChIKey
OPTPPJUCEOZWOR-UHFFFAOYSA-O
Compound name
(5-amino-10-methylbenzo[a]phenoxazin-9-ylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

294
References

10133
Patents

304.145 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15228 172.7
[M+Na]+ 327.13422 183.7
[M-H]- 303.13772 180.5
[M+NH4]+ 322.17882 188.2
[M+K]+ 343.10816 173.6
[M+H-H2O]+ 287.14226 165.9
[M+HCOO]- 349.14320 193.9
[M+CH3COO]- 363.15885 209.2
[M+Na-2H]- 325.11967 184.0
[M]+ 304.14445 175.0
[M]- 304.14555 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

No literature data available for this compound.

Patent stripe

patents stripe