CID 6481623

Dqbgrcmvjddfpj-uhfffaoysa-n

Structural Information

Molecular Formula
C17H17N5O3S
SMILES
CS(=O)(=O)OCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H17N5O3S/c1-26(23,24)25-11-10-21-15-8-4-2-6-13(15)18-17(21)12-22-16-9-5-3-7-14(16)19-20-22/h2-9H,10-12H2,1H3
InChIKey
DQBGRCMVJDDFPJ-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

371.10522 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11250 187.8
[M+Na]+ 394.09444 201.4
[M-H]- 370.09794 192.3
[M+NH4]+ 389.13904 200.0
[M+K]+ 410.06838 195.7
[M+H-H2O]+ 354.10248 179.6
[M+HCOO]- 416.10342 203.1
[M+CH3COO]- 430.11907 198.8
[M+Na-2H]- 392.07989 191.8
[M]+ 371.10467 198.2
[M]- 371.10577 198.2
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