CID 374650

Nsc652685

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)N)N(C)C
InChI
InChI=1S/C14H16N4O4/c1-6-9(17(2)3)12(20)8-10(11(6)19)18-5-4-7(13(18)16-8)22-14(15)21/h7H,4-5H2,1-3H3,(H2,15,21)
InChIKey
RZDXIAMJZGKBKU-UHFFFAOYSA-N
Compound name
[6-(dimethylamino)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 167.5
[M+Na]+ 327.10638 176.7
[M-H]- 303.10988 172.4
[M+NH4]+ 322.15098 185.8
[M+K]+ 343.08032 175.0
[M+H-H2O]+ 287.11442 161.2
[M+HCOO]- 349.11536 188.1
[M+CH3COO]- 363.13101 214.1
[M+Na-2H]- 325.09183 166.7
[M]+ 304.11661 170.6
[M]- 304.11771 170.6
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

No patent data available for this compound.