CID 110019

68310-06-5

Structural Information

Molecular Formula
C23H22ClN5O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)N(CCO)CCO)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C23H22ClN5O5/c24-19-14-18(29(33)34)7-8-20(19)26-27-21-9-6-17(28(10-12-30)11-13-31)15-22(21)25-23(32)16-4-2-1-3-5-16/h1-9,14-15,30-31H,10-13H2,(H,25,32)
InChIKey
NGQZKLOOMICCSD-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

483.13095 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.13823 212.8
[M+Na]+ 506.12017 224.6
[M+NH4]+ 501.16477 217.7
[M+K]+ 522.09411 220.0
[M-H]- 482.12367 221.0
[M+Na-2H]- 504.10562 221.0
[M]+ 483.13040 216.7
[M]- 483.13150 216.7
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