CID 377273

Nsc658526

Structural Information

Molecular Formula
C15H11ClN6
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=[N+]=[N-])C#N
InChI
InChI=1S/C15H11ClN6/c1-9-10(6-7-16)15(20-21-18)22-13-5-3-2-4-12(13)19-14(22)11(9)8-17/h2-5H,6-7H2,1H3
InChIKey
AKNJQLUSTDVMMT-UHFFFAOYSA-N
Compound name
1-azido-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07336 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08064 179.7
[M+Na]+ 333.06258 192.2
[M-H]- 309.06608 183.1
[M+NH4]+ 328.10718 194.5
[M+K]+ 349.03652 179.6
[M+H-H2O]+ 293.07062 168.2
[M+HCOO]- 355.07156 198.4
[M+CH3COO]- 369.08721 219.2
[M+Na-2H]- 331.04803 186.7
[M]+ 310.07281 177.6
[M]- 310.07391 177.6
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

No patent data available for this compound.