CID 13907760

Hc violet no. 2

Structural Information

Molecular Formula
C13H21N3O5
SMILES
C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCCO
InChI
InChI=1S/C13H21N3O5/c17-7-1-4-14-12-3-2-11(10-13(12)16(20)21)15(5-8-18)6-9-19/h2-3,10,14,17-19H,1,4-9H2
InChIKey
YHSOWKGIYXECIF-UHFFFAOYSA-N
Compound name
3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2286
Patents

299.14813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15541 165.0
[M+Na]+ 322.13735 167.7
[M-H]- 298.14085 165.3
[M+NH4]+ 317.18195 177.1
[M+K]+ 338.11129 161.6
[M+H-H2O]+ 282.14539 161.9
[M+HCOO]- 344.14633 187.9
[M+CH3COO]- 358.16198 198.7
[M+Na-2H]- 320.12280 169.8
[M]+ 299.14758 164.1
[M]- 299.14868 164.1
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