CID 174688

80584-89-0

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC1=C2C(=CC=C1)N(N=N2)CN(CCO)CCO
InChI
InChI=1S/C12H18N4O2/c1-10-3-2-4-11-12(10)13-14-16(11)9-15(5-7-17)6-8-18/h2-4,17-18H,5-9H2,1H3
InChIKey
ZUHDIDYOAZNPBV-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1134
Patents

250.14297 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 156.5
[M+Na]+ 273.132188 165.0
[M-H]- 249.135694 156.2
[M+NH4]+ 268.176793 171.8
[M+K]+ 289.106128 161.8
[M+H-H2O]+ 233.140230 148.0
[M+HCOO]- 295.141171 177.1
[M+CH3COO]- 309.156821 195.2
[M+Na-2H]- 271.117636 162.1
[M]+ 250.14242142 160.4
[M]- 250.14351858 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

literature stripe

Patent stripe

patents stripe