CID 13827790

80584-88-9

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC1=CC2=C(C=C1)N(N=N2)CN(CCO)CCO
InChI
InChI=1S/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3
InChIKey
HHYPDQBCLQZKLI-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

622
Patents

250.14297 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 156.5
[M+Na]+ 273.13219 167.6
[M+NH4]+ 268.17679 162.5
[M+K]+ 289.10613 164.2
[M-H]- 249.13569 156.2
[M+Na-2H]- 271.11764 160.9
[M]+ 250.14242 157.7
[M]- 250.14352 157.7
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