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
1
Annotation Hits

0
References

644
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 165.0
[M-H]- 249.13569 156.2
[M+NH4]+ 268.17679 171.8
[M+K]+ 289.10613 161.8
[M+H-H2O]+ 233.14023 148.0
[M+HCOO]- 295.14117 177.1
[M+CH3COO]- 309.15682 195.2
[M+Na-2H]- 271.11764 162.1
[M]+ 250.14242 160.4
[M]- 250.14352 160.4
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

patents stripe