CID 135850642

83803-74-1

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CN1CCCC1CNC(=O)C2=CC3=C(C=C2OC)N=NN3
InChI
InChI=1S/C14H19N5O2/c1-19-5-3-4-9(19)8-15-14(20)10-6-11-12(17-18-16-11)7-13(10)21-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKey
CZQPRNIFGAMBOR-UHFFFAOYSA-N
Compound name
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15387 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.161146 166.4
[M+Na]+ 312.143088 174.3
[M-H]- 288.146594 168.3
[M+NH4]+ 307.187693 180.3
[M+K]+ 328.117028 170.2
[M+H-H2O]+ 272.151130 157.1
[M+HCOO]- 334.152071 184.6
[M+CH3COO]- 348.167721 176.7
[M+Na-2H]- 310.128536 167.8
[M]+ 289.15332142 166.7
[M]- 289.15441858 166.7
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.