CID 59270

102280-36-4

Structural Information

Molecular Formula
C21H21Cl2N3O
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)CN(CCCl)CCCl)O
InChI
InChI=1S/C21H21Cl2N3O/c22-11-13-26(14-12-23)15-16-5-8-18(9-6-16)24-25-21-19-4-2-1-3-17(19)7-10-20(21)27/h1-10,27H,11-15H2
InChIKey
YPBIIGUMIVSYKI-UHFFFAOYSA-N
Compound name
1-[[4-[bis(2-chloroethyl)aminomethyl]phenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.10617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11345 195.4
[M+Na]+ 424.09539 202.6
[M-H]- 400.09889 203.9
[M+NH4]+ 419.13999 209.1
[M+K]+ 440.06933 195.8
[M+H-H2O]+ 384.10343 186.7
[M+HCOO]- 446.10437 212.8
[M+CH3COO]- 460.12002 232.5
[M+Na-2H]- 422.08084 200.1
[M]+ 401.10562 202.4
[M]- 401.10672 202.4
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

No patent data available for this compound.