CID 56655929

Bttaa

Structural Information

Molecular Formula
C19H30N10O2
SMILES
CC(C)(C)N1C=C(N=N1)CN(CC2=CN(N=N2)CC(=O)O)CC3=CN(N=N3)C(C)(C)C
InChI
InChI=1S/C19H30N10O2/c1-18(2,3)28-11-15(21-24-28)8-26(7-14-10-27(23-20-14)13-17(30)31)9-16-12-29(25-22-16)19(4,5)6/h10-12H,7-9,13H2,1-6H3,(H,30,31)
InChIKey
MGQYHUDOWOGSQI-UHFFFAOYSA-N
Compound name
2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

369
Patents

430.2553 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26258 191.2
[M+Na]+ 453.24452 199.3
[M+NH4]+ 448.28912 191.6
[M+K]+ 469.21846 205.0
[M-H]- 429.24802 188.7
[M+Na-2H]- 451.22997 196.2
[M]+ 430.25475 191.2
[M]- 430.25585 191.2
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