CID 6481615

(2s)-2-[[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]methyl]-1-methyl-pyrrolidin-2-amine

Structural Information

Molecular Formula
C20H23N7
SMILES
CN1CCC[C@]1(CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4)N
InChI
InChI=1S/C20H23N7/c1-25-12-6-11-20(25,21)14-26-17-9-4-2-7-15(17)22-19(26)13-27-18-10-5-3-8-16(18)23-24-27/h2-5,7-10H,6,11-14,21H2,1H3/t20-/m0/s1
InChIKey
BLQMJRDAJKROCT-FQEVSTJZSA-N
Compound name
(2S)-2-[[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]methyl]-1-methylpyrrolidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.20878 183.0
[M+Na]+ 384.19072 194.2
[M-H]- 360.19422 188.9
[M+NH4]+ 379.23532 196.4
[M+K]+ 400.16466 187.1
[M+H-H2O]+ 344.19876 171.4
[M+HCOO]- 406.19970 201.2
[M+CH3COO]- 420.21535 193.1
[M+Na-2H]- 382.17617 183.8
[M]+ 361.20095 185.4
[M]- 361.20205 185.4
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

No patent data available for this compound.