CID 104094

Hc green no. 1

Structural Information

Molecular Formula
C18H23N3O5
SMILES
C1=CC(=CC=C1NC2=CC(=O)C(=CC2=O)NCCO)N(CCO)CCO
InChI
InChI=1S/C18H23N3O5/c22-8-5-19-15-11-18(26)16(12-17(15)25)20-13-1-3-14(4-2-13)21(6-9-23)7-10-24/h1-4,11-12,19-20,22-24H,5-10H2
InChIKey
BZYZOJIGZUACMS-UHFFFAOYSA-N
Compound name
2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1181
Patents

361.16376 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 181.9
[M+Na]+ 384.15298 185.4
[M-H]- 360.15648 185.6
[M+NH4]+ 379.19758 191.9
[M+K]+ 400.12692 182.1
[M+H-H2O]+ 344.16102 172.9
[M+HCOO]- 406.16196 203.7
[M+CH3COO]- 420.17761 220.3
[M+Na-2H]- 382.13843 183.6
[M]+ 361.16321 181.8
[M]- 361.16431 181.8
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