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

2919
Patents

299.14813 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.155406 165.0
[M+Na]+ 322.137348 167.7
[M-H]- 298.140854 165.3
[M+NH4]+ 317.181953 177.1
[M+K]+ 338.111288 161.6
[M+H-H2O]+ 282.145390 161.9
[M+HCOO]- 344.146331 187.9
[M+CH3COO]- 358.161981 198.7
[M+Na-2H]- 320.122796 169.8
[M]+ 299.14758142 164.1
[M]- 299.14867858 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